Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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p-Anisaldehyde, 99+%

CAS: 123-11-5 Formula molecolare: C₈H₈O₂ Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

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Sinonimo	p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
Numero MDL	MFCD00003385
PubChem CID	31244
Formula molecolare	C₈H₈O₂
CAS	123-11-5
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:28235
SMILES	COC1=CC=C(C=C1)C=O
IUPAC Name	4-methoxybenzaldehyde
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N

Benzyl Alcohol, 99%, Pure

CAS: 100-51-6 Formula molecolare: C7H8O Molecular Weight (g/mol): 108.14 Numero MDL: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Sinonimo: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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Sinonimo	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numero MDL	MFCD00004599,MFCD03792087
PubChem CID	244
Formula molecolare	C7H8O
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
SMILES	OCC1=CC=CC=C1
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N

Isoeugenol, 98+%, mixture of cis/trans isomers

CAS: 97-54-1 Formula molecolare: C10H12O2 Molecular Weight (g/mol): 164.20 Numero MDL: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Sinonimo: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O

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Sinonimo	isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
Numero MDL	MFCD00009285
PubChem CID	853433
Formula molecolare	C10H12O2
CAS	97-54-1
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:50545
SMILES	COC1=CC(\C=C\C)=CC=C1O
InChI Key	BJIOGJUNALELMI-ONEGZZNKSA-N

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Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Formula molecolare: C₇H₆O₂ Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Sinonimo: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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Sinonimo	benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
PubChem CID	243
Formula molecolare	C₇H₆O₂
CAS	65-85-0
Molecular Weight (g/mol)	122.12
ChEBI	CHEBI:30746
SMILES	C1=CC=C(C=C1)C(=O)O
IUPAC Name	benzoic acid
InChI Key	WPYMKLBDIGXBTP-UHFFFAOYSA-N

2-Phenoxyethanol, 99%

CAS: 122-99-6 Formula molecolare: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 Numero MDL: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Sinonimo: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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Sinonimo	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
Numero MDL	MFCD00002857
PubChem CID	31236
Formula molecolare	C₈H₁₀O₂
CAS	122-99-6
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:64275
SMILES	C1=CC=C(C=C1)OCCO
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N

Thermo Scientific Chemicals Basic Fuchsin

CAS: 632-99-5 Formula molecolare: C20H20ClN3 Molecular Weight (g/mol): 337.85 Numero MDL: MFCD00012569 InChI Key: AXDJCCTWPBKUKL-UHFFFAOYSA-N Sinonimo: basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic PubChem CID: 12447 IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1

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Sinonimo	basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic
Numero MDL	MFCD00012569
PubChem CID	12447
Formula molecolare	C20H20ClN3
CAS	632-99-5
Molecular Weight (g/mol)	337.85
SMILES	[H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1
IUPAC Name	4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
InChI Key	AXDJCCTWPBKUKL-UHFFFAOYSA-N

1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Formula molecolare: C9H12O3 Molecular Weight (g/mol): 168.19 Numero MDL: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Sinonimo: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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Sinonimo	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
Numero MDL	MFCD00008385
PubChem CID	69301
Formula molecolare	C9H12O3
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
SMILES	COC1=CC(OC)=CC(OC)=C1
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N

Anthranilamide, 99+%

CAS: 88-68-6 Formula molecolare: C₇H₈N₂O Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Sinonimo: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

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Sinonimo	anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van
Numero MDL	MFCD00007981
PubChem CID	6942
Formula molecolare	C₇H₈N₂O
CAS	88-68-6
Molecular Weight (g/mol)	136.15
SMILES	C1=CC=C(C(=C1)C(=O)N)N
IUPAC Name	2-aminobenzamide
InChI Key	PXBFMLJZNCDSMP-UHFFFAOYSA-N

Veratrole, 99+%

CAS: 91-16-7 Formula molecolare: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 Numero MDL: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Sinonimo: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

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Sinonimo	veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
Numero MDL	MFCD00008357
PubChem CID	7043
Formula molecolare	C₈H₁₀O₂
CAS	91-16-7
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:59114
SMILES	COC1=CC=CC=C1OC
IUPAC Name	1,2-dimethoxybenzene
InChI Key	ABDKAPXRBAPSQN-UHFFFAOYSA-N

Sinonimo	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numero MDL	MFCD00004599,MFCD03792087
PubChem CID	244
Formula molecolare	C7H8O
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
SMILES	OCC1=CC=CC=C1
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N

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4-Methoxybenzaldehyde, 98%

CAS: 123-11-5 Formula molecolare: C8H8O2 Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

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Sinonimo	p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
Numero MDL	MFCD00003385
PubChem CID	31244
Formula molecolare	C8H8O2
CAS	123-11-5
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:28235
SMILES	COC1=CC=C(C=C1)C=O
IUPAC Name	4-methoxybenzaldehyde
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N

Benzophenone, 99%, pure

CAS: 119-61-9 Formula molecolare: C₁₃H₁₀O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Sinonimo: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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Sinonimo	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
PubChem CID	3102
Formula molecolare	C₁₃H₁₀O
CAS	119-61-9
Molecular Weight (g/mol)	182.22
ChEBI	CHEBI:41308
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
IUPAC Name	diphenylmethanone
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N

Triphenylphosphine oxide, 99%

CAS: 791-28-6 Formula molecolare: C18H15OP Molecular Weight (g/mol): 278.29 Numero MDL: MFCD00002080 MFCD03458802 InChI Key: FIQMHBFVRAXMOP-UHFFFAOYSA-N Sinonimo: triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid PubChem CID: 13097 ChEBI: CHEBI:36601 IUPAC Name: diphenylphosphorylbenzene SMILES: O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Sinonimo	triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid
Numero MDL	MFCD00002080 MFCD03458802
PubChem CID	13097
Formula molecolare	C18H15OP
CAS	791-28-6
Molecular Weight (g/mol)	278.29
ChEBI	CHEBI:36601
SMILES	O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	diphenylphosphorylbenzene
InChI Key	FIQMHBFVRAXMOP-UHFFFAOYSA-N

Tetrakis(triphenylphosphine)palladium(0), 99%

CAS: 14221-01-3 Formula molecolare: C72H60P4Pd Molecular Weight (g/mol): 1155.59 Numero MDL: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Sinonimo: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Sinonimo	tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4
Numero MDL	MFCD00010012
PubChem CID	11979704
Formula molecolare	C72H60P4Pd
CAS	14221-01-3
Molecular Weight (g/mol)	1155.59
SMILES	[Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	palladium;triphenylphosphane
InChI Key	NFHFRUOZVGFOOS-UHFFFAOYSA-N

Benzene and substituted derivatives

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