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

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

(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 1066-51-9 Formula molecolare: CH₆NO₃P Molecular Weight (g/mol): 111.04 Numero MDL: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Sinonimo: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

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Sinonimo	aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl
Numero MDL	MFCD00008105
PubChem CID	14017
Formula molecolare	CH₆NO₃P
CAS	1066-51-9
Molecular Weight (g/mol)	111.04
ChEBI	CHEBI:28812
SMILES	C(N)P(=O)(O)O
IUPAC Name	aminomethylphosphonic acid
InChI Key	MGRVRXRGTBOSHW-UHFFFAOYSA-N

2-Chloroethylphosphonic acid, 90%, Tech.

CAS: 16672-87-0 Formula molecolare: C2H6ClO3P Molecular Weight (g/mol): 144.49 Numero MDL: MFCD00002142 InChI Key: UDPGUMQDCGORJQ-UHFFFAOYSA-N Sinonimo: ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse PubChem CID: 27982 ChEBI: CHEBI:52741 IUPAC Name: 2-chloroethylphosphonic acid SMILES: OP(O)(=O)CCCl

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Sinonimo	ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse
Numero MDL	MFCD00002142
PubChem CID	27982
Formula molecolare	C2H6ClO3P
CAS	16672-87-0
Molecular Weight (g/mol)	144.49
ChEBI	CHEBI:52741
SMILES	OP(O)(=O)CCCl
IUPAC Name	2-chloroethylphosphonic acid
InChI Key	UDPGUMQDCGORJQ-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

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

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

Phenylphosphonic acid, 98%

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

Vinylphosphonic acid, 90%, technical, Thermo Scientific Chemicals

CAS: 1746-03-8 Formula molecolare: C2H3O3P Molecular Weight (g/mol): 106.02 Numero MDL: MFCD00043866 InChI Key: ZTWTYVWXUKTLCP-UHFFFAOYSA-L Sinonimo: vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid PubChem CID: 168725 IUPAC Name: ethenylphosphonic acid SMILES: [O-]P([O-])(=O)C=C

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Sinonimo	vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid
Numero MDL	MFCD00043866
PubChem CID	168725
Formula molecolare	C2H3O3P
CAS	1746-03-8
Molecular Weight (g/mol)	106.02
SMILES	[O-]P([O-])(=O)C=C
IUPAC Name	ethenylphosphonic acid
InChI Key	ZTWTYVWXUKTLCP-UHFFFAOYSA-L

(Aminomethyl)phosphonic acid, 99%

CAS: 1066-51-9 Formula molecolare: CH6NO3P Molecular Weight (g/mol): 111.037 Numero MDL: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Sinonimo: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

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Sinonimo	aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl
Numero MDL	MFCD00008105
PubChem CID	14017
Formula molecolare	CH6NO3P
CAS	1066-51-9
Molecular Weight (g/mol)	111.037
ChEBI	CHEBI:28812
SMILES	C(N)P(=O)(O)O
IUPAC Name	aminomethylphosphonic acid
InChI Key	MGRVRXRGTBOSHW-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 phosphonoacetate, 98+%

CAS: 867-13-0 Formula molecolare: C8H17O5P Molecular Weight (g/mol): 224.193 Numero MDL: MFCD00009177 InChI Key: GGUBFICZYGKNTD-UHFFFAOYSA-N Sinonimo: triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate PubChem CID: 13345 IUPAC Name: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

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Sinonimo	triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate
Numero MDL	MFCD00009177
PubChem CID	13345
Formula molecolare	C8H17O5P
CAS	867-13-0
Molecular Weight (g/mol)	224.193
SMILES	CCOC(=O)CP(=O)(OCC)OCC
IUPAC Name	ethyl 2-diethoxyphosphorylacetate
InChI Key	GGUBFICZYGKNTD-UHFFFAOYSA-N

Diethyl 2,2-diethoxyethylphosphonate, 96%

CAS: 7598-61-0 Formula molecolare: C10H23O5P Molecular Weight (g/mol): 254.263 Numero MDL: MFCD00009236 InChI Key: LUQYELQXRPNKRY-UHFFFAOYSA-N Sinonimo: diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane PubChem CID: 82071 IUPAC Name: 2-diethoxyphosphoryl-1,1-diethoxyethane SMILES: CCOC(CP(=O)(OCC)OCC)OCC

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Sinonimo	diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane
Numero MDL	MFCD00009236
PubChem CID	82071
Formula molecolare	C10H23O5P
CAS	7598-61-0
Molecular Weight (g/mol)	254.263
SMILES	CCOC(CP(=O)(OCC)OCC)OCC
IUPAC Name	2-diethoxyphosphoryl-1,1-diethoxyethane
InChI Key	LUQYELQXRPNKRY-UHFFFAOYSA-N

Sodium phosphonoformate hexahydrate, 98+%

CAS: 34156-56-4 Formula molecolare: CH12Na3O11P Molecular Weight (g/mol): 300.04 Numero MDL: MFCD00150176 InChI Key: ILRVASBWNRYBFD-UHFFFAOYSA-K Sinonimo: foscarnet sodium hexahydrate,sodium phosphonatoformate hexahydrate,unii-964ys0oog1,foscarnet trisodium hexahydrate,phosphonoformic acid trisodium salt hexahydrate,trisodium phosphonoformte hexahydrate,sodium phosphonoformate tribasic hexahydrate,phosphonoformic acid, trisodium salt, hexahydrate,trisodium foscarnet 3-hexahydrate,formic acid, phosphono-, trisodium salt, hexahydrate PubChem CID: 169569 ChEBI: CHEBI:60269 SMILES: O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O

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Sinonimo	foscarnet sodium hexahydrate,sodium phosphonatoformate hexahydrate,unii-964ys0oog1,foscarnet trisodium hexahydrate,phosphonoformic acid trisodium salt hexahydrate,trisodium phosphonoformte hexahydrate,sodium phosphonoformate tribasic hexahydrate,phosphonoformic acid, trisodium salt, hexahydrate,trisodium foscarnet 3-hexahydrate,formic acid, phosphono-, trisodium salt, hexahydrate
Numero MDL	MFCD00150176
PubChem CID	169569
Formula molecolare	CH12Na3O11P
CAS	34156-56-4
Molecular Weight (g/mol)	300.04
ChEBI	CHEBI:60269
SMILES	O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O
InChI Key	ILRVASBWNRYBFD-UHFFFAOYSA-K

Diethyl vinylphosphonate, 97%

CAS: 682-30-4 Formula molecolare: C6H13O3P Molecular Weight (g/mol): 164.14 Numero MDL: MFCD00009079 InChI Key: DREPONDJUKIQLX-UHFFFAOYSA-N Sinonimo: diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g PubChem CID: 69629 IUPAC Name: 1-[ethenyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(OCC)C=C

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Sinonimo	diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g
Numero MDL	MFCD00009079
PubChem CID	69629
Formula molecolare	C6H13O3P
CAS	682-30-4
Molecular Weight (g/mol)	164.14
SMILES	CCOP(=O)(OCC)C=C
IUPAC Name	1-[ethenyl(ethoxy)phosphoryl]oxyethane
InChI Key	DREPONDJUKIQLX-UHFFFAOYSA-N

Organic phosphonic acids and derivatives

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