Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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[(Methylamino)methyl] Phosphonic Acid, TRC

CAS: 35404-71-8 Formula molecolare: C2 H8 N O3 P Molecular Weight (g/mol): 125.064 Sinonimo: P-[(Methylamino)methyl]phosphonic Acid,[(Methylamino)methyl]phosphonic Acid,NSC 244826 IUPAC Name: methylaminomethylphosphonic acid SMILES: CNCP(=O)(O)O

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Sinonimo	P-[(Methylamino)methyl]phosphonic Acid,[(Methylamino)methyl]phosphonic Acid,NSC 244826
Formula molecolare	C2 H8 N O3 P
CAS	35404-71-8
Molecular Weight (g/mol)	125.064
SMILES	CNCP(=O)(O)O
IUPAC Name	methylaminomethylphosphonic acid

Phenylphosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 1571-33-1 Formula molecolare: C6H7O3P Molecular Weight (g/mol): 158.09 Numero MDL: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Sinonimo: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

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Sinonimo	benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
Numero MDL	MFCD00002136
PubChem CID	15295
Formula molecolare	C6H7O3P
CAS	1571-33-1
Molecular Weight (g/mol)	158.09
SMILES	OP(O)(=O)C1=CC=CC=C1
IUPAC Name	phenylphosphonic acid
InChI Key	QLZHNIAADXEJJP-UHFFFAOYSA-N

Diethyl (hydroxymethyl)phosphonate, 97%

CAS: 3084-40-0 Formula molecolare: C₅H₁₃O₄P Molecular Weight (g/mol): 168.13 Numero MDL: MFCD00014418 InChI Key: RWIGWWBLTJLKMK-UHFFFAOYSA-N Sinonimo: diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol PubChem CID: 76513 IUPAC Name: diethoxyphosphorylmethanol SMILES: CCOP(=O)(CO)OCC

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Sinonimo	diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol
Numero MDL	MFCD00014418
PubChem CID	76513
Formula molecolare	C₅H₁₃O₄P
CAS	3084-40-0
Molecular Weight (g/mol)	168.13
SMILES	CCOP(=O)(CO)OCC
IUPAC Name	diethoxyphosphorylmethanol
InChI Key	RWIGWWBLTJLKMK-UHFFFAOYSA-N

Diethyl 4-aminobenzylphosphonate, 99%

CAS: 20074-79-7 Formula molecolare: C11H18NO3P Molecular Weight (g/mol): 243.24 Numero MDL: MFCD00007913 InChI Key: ZVAYUUUQOCPZCZ-UHFFFAOYSA-N Sinonimo: diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830 PubChem CID: 88358 SMILES: CCOP(=O)(CC1=CC=C(N)C=C1)OCC

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Sinonimo	diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830
Numero MDL	MFCD00007913
PubChem CID	88358
Formula molecolare	C11H18NO3P
CAS	20074-79-7
Molecular Weight (g/mol)	243.24
SMILES	CCOP(=O)(CC1=CC=C(N)C=C1)OCC
InChI Key	ZVAYUUUQOCPZCZ-UHFFFAOYSA-N

Alendronate sodium trihydrate, 97%

CAS: 121268-17-5 Formula molecolare: C4H18NNaO10P2 Molecular Weight (g/mol): 325.122 Numero MDL: MFCD01748233 InChI Key: DCSBSVSZJRSITC-UHFFFAOYSA-M Sinonimo: alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan PubChem CID: 23681107 ChEBI: CHEBI:2566 IUPAC Name: sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]

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Sinonimo	alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan
Numero MDL	MFCD01748233
PubChem CID	23681107
Formula molecolare	C4H18NNaO10P2
CAS	121268-17-5
Molecular Weight (g/mol)	325.122
ChEBI	CHEBI:2566
SMILES	C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]
IUPAC Name	sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate
InChI Key	DCSBSVSZJRSITC-UHFFFAOYSA-M

(2-Aminoethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 2041-14-7 Formula molecolare: C2H8NO3P Molecular Weight (g/mol): 125.06 Numero MDL: MFCD00008182 InChI Key: QQVDJLLNRSOCEL-UHFFFAOYSA-N Sinonimo: 2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl PubChem CID: 339 ChEBI: CHEBI:15573 IUPAC Name: 2-aminoethylphosphonic acid SMILES: NCCP(O)(O)=O

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Sinonimo	2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl
Numero MDL	MFCD00008182
PubChem CID	339
Formula molecolare	C2H8NO3P
CAS	2041-14-7
Molecular Weight (g/mol)	125.06
ChEBI	CHEBI:15573
SMILES	NCCP(O)(O)=O
IUPAC Name	2-aminoethylphosphonic acid
InChI Key	QQVDJLLNRSOCEL-UHFFFAOYSA-N

1-Octylphosphonic acid, 98%

CAS: 4724-48-5 Formula molecolare: C8H19O3P Molecular Weight (g/mol): 194.211 Numero MDL: MFCD00015841 InChI Key: NJGCRMAPOWGWMW-UHFFFAOYSA-N Sinonimo: n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 PubChem CID: 78452 IUPAC Name: octylphosphonic acid SMILES: CCCCCCCCP(=O)(O)O

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Sinonimo	n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679
Numero MDL	MFCD00015841
PubChem CID	78452
Formula molecolare	C8H19O3P
CAS	4724-48-5
Molecular Weight (g/mol)	194.211
SMILES	CCCCCCCCP(=O)(O)O
IUPAC Name	octylphosphonic acid
InChI Key	NJGCRMAPOWGWMW-UHFFFAOYSA-N

1-Butylphosphonic acid, 98%

CAS: 3321-64-0 Formula molecolare: C4H11O3P Molecular Weight (g/mol): 138.10 Numero MDL: MFCD00012295 InChI Key: UOKRBSXOBUKDGE-UHFFFAOYSA-N Sinonimo: n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41 PubChem CID: 76839 ChEBI: CHEBI:41384 IUPAC Name: butylphosphonic acid SMILES: CCCCP(O)(O)=O

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Sinonimo	n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41
Numero MDL	MFCD00012295
PubChem CID	76839
Formula molecolare	C4H11O3P
CAS	3321-64-0
Molecular Weight (g/mol)	138.10
ChEBI	CHEBI:41384
SMILES	CCCCP(O)(O)=O
IUPAC Name	butylphosphonic acid
InChI Key	UOKRBSXOBUKDGE-UHFFFAOYSA-N

Methylenediphosphonic acid, 98+%

CAS: 1984-15-2 Formula molecolare: CH6O6P2 Molecular Weight (g/mol): 176.00 Numero MDL: MFCD00002139 InChI Key: MBKDYNNUVRNNRF-UHFFFAOYSA-N Sinonimo: methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid PubChem CID: 16124 ChEBI: CHEBI:43945 IUPAC Name: (phosphonomethyl)phosphonic acid SMILES: OP(O)(=O)CP(O)(O)=O

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Sinonimo	methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid
Numero MDL	MFCD00002139
PubChem CID	16124
Formula molecolare	CH6O6P2
CAS	1984-15-2
Molecular Weight (g/mol)	176.00
ChEBI	CHEBI:43945
SMILES	OP(O)(=O)CP(O)(O)=O
IUPAC Name	(phosphonomethyl)phosphonic acid
InChI Key	MBKDYNNUVRNNRF-UHFFFAOYSA-N

Diethyl (3,3-diethoxypropyl)phosphonate, 95%, stabilized with max. 1% w/w Na2CO3

CAS: 15110-17-5 Formula molecolare: C₁₁H₂₅O₅P Molecular Weight (g/mol): 268.29 Numero MDL: MFCD00800259 InChI Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N Sinonimo: diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester PubChem CID: 328856 IUPAC Name: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC

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Sinonimo	diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester
Numero MDL	MFCD00800259
PubChem CID	328856
Formula molecolare	C₁₁H₂₅O₅P
CAS	15110-17-5
Molecular Weight (g/mol)	268.29
SMILES	CCOC(CCP(=O)(OCC)OCC)OCC
IUPAC Name	3-diethoxyphosphoryl-1,1-diethoxypropane
InChI Key	WKPXMGJOGYEGNW-UHFFFAOYSA-N

Triethyl 2-phosphonopentanoate, 98%

CAS: 35051-49-1 Formula molecolare: C11H23O5P Molecular Weight (g/mol): 266.274 Numero MDL: MFCD00015163 InChI Key: BUPVIVDUPRDDFI-UHFFFAOYSA-N Sinonimo: triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate PubChem CID: 98244 IUPAC Name: ethyl 2-diethoxyphosphorylpentanoate SMILES: CCCC(C(=O)OCC)P(=O)(OCC)OCC

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Sinonimo	triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate
Numero MDL	MFCD00015163
PubChem CID	98244
Formula molecolare	C11H23O5P
CAS	35051-49-1
Molecular Weight (g/mol)	266.274
SMILES	CCCC(C(=O)OCC)P(=O)(OCC)OCC
IUPAC Name	ethyl 2-diethoxyphosphorylpentanoate
InChI Key	BUPVIVDUPRDDFI-UHFFFAOYSA-N

Tetraisopropyl methylenediphosphonate, 98%

CAS: 1660-95-3 Formula molecolare: C13H30O6P2 Molecular Weight (g/mol): 344.325 Numero MDL: MFCD00015021 InChI Key: ODTQUKVFOLFLIQ-UHFFFAOYSA-N Sinonimo: tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 PubChem CID: 74266 IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

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Sinonimo	tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847
Numero MDL	MFCD00015021
PubChem CID	74266
Formula molecolare	C13H30O6P2
CAS	1660-95-3
Molecular Weight (g/mol)	344.325
SMILES	CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
IUPAC Name	2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
InChI Key	ODTQUKVFOLFLIQ-UHFFFAOYSA-N

tert-Butyl diethylphosphonoacetate, 95%

CAS: 27784-76-5 Formula molecolare: C10H21O5P Molecular Weight (g/mol): 252.247 Numero MDL: MFCD00075414 InChI Key: NFEGNISFSSLEGU-UHFFFAOYSA-N Sinonimo: tert-butyl diethylphosphonoacetate,tert-butyl 2-diethoxyphosphoryl acetate,diethyl boc-methyl phosphonate,diethoxy-phosphoryl-acetic acid tert-butyl ester,t-butyl diethylphosphonoacetate,diethyl phosphonoacetic acid tert-butyl ester,t-butyl diethyl phosphonoacetate,diethylphosphonoacetic acid tert-butyl ester,diethyl 2-tert-butoxycarbonylmethyl phosphonate,acetic acid, diethoxyphosphinyl-, 1,1-dimethylethyl ester PubChem CID: 2773685 IUPAC Name: tert-butyl 2-diethoxyphosphorylacetate SMILES: CCOP(=O)(CC(=O)OC(C)(C)C)OCC

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Sinonimo	tert-butyl diethylphosphonoacetate,tert-butyl 2-diethoxyphosphoryl acetate,diethyl boc-methyl phosphonate,diethoxy-phosphoryl-acetic acid tert-butyl ester,t-butyl diethylphosphonoacetate,diethyl phosphonoacetic acid tert-butyl ester,t-butyl diethyl phosphonoacetate,diethylphosphonoacetic acid tert-butyl ester,diethyl 2-tert-butoxycarbonylmethyl phosphonate,acetic acid, diethoxyphosphinyl-, 1,1-dimethylethyl ester
Numero MDL	MFCD00075414
PubChem CID	2773685
Formula molecolare	C10H21O5P
CAS	27784-76-5
Molecular Weight (g/mol)	252.247
SMILES	CCOP(=O)(CC(=O)OC(C)(C)C)OCC
IUPAC Name	tert-butyl 2-diethoxyphosphorylacetate
InChI Key	NFEGNISFSSLEGU-UHFFFAOYSA-N

Tetraethyl methylenediphosphonate, 97%

CAS: 1660-94-2 Formula molecolare: C9H22O6P2 Molecular Weight (g/mol): 288.22 Numero MDL: MFCD00039887 InChI Key: STJWVOQLJPNAQL-UHFFFAOYSA-N Sinonimo: tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester PubChem CID: 15455 IUPAC Name: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC

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Sinonimo	tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester
Numero MDL	MFCD00039887
PubChem CID	15455
Formula molecolare	C9H22O6P2
CAS	1660-94-2
Molecular Weight (g/mol)	288.22
SMILES	CCOP(=O)(CP(=O)(OCC)OCC)OCC
IUPAC Name	1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
InChI Key	STJWVOQLJPNAQL-UHFFFAOYSA-N

Diethyl cyanomethylphosphonate, 96%

CAS: 2537-48-6 Formula molecolare: C6H12NO3P Molecular Weight (g/mol): 177.14 Numero MDL: MFCD00001893 InChI Key: KWMBADTWRIGGGG-UHFFFAOYSA-N Sinonimo: diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester PubChem CID: 75676 IUPAC Name: 2-diethoxyphosphorylacetonitrile SMILES: CCOP(=O)(CC#N)OCC

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Sinonimo	diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester
Numero MDL	MFCD00001893
PubChem CID	75676
Formula molecolare	C6H12NO3P
CAS	2537-48-6
Molecular Weight (g/mol)	177.14
SMILES	CCOP(=O)(CC#N)OCC
IUPAC Name	2-diethoxyphosphorylacetonitrile
InChI Key	KWMBADTWRIGGGG-UHFFFAOYSA-N

Organic phosphonic acids and derivatives

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