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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2,641 – 2,655 of 64,662 results

2,641

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3,4-Dimethoxybenzonitrile, 98+%

CAS: 2024-83-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001802 InChI Key: OSEQIDSFSBWXRE-UHFFFAOYSA-N Synonym: veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole PubChem CID: 74842 IUPAC Name: 3,4-dimethoxybenzonitrile SMILES: COC1=CC=C(C=C1OC)C#N

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PubChem CID	74842
CAS	2024-83-1
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00001802
SMILES	COC1=CC=C(C=C1OC)C#N
Synonym	veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole
IUPAC Name	3,4-dimethoxybenzonitrile
InChI Key	OSEQIDSFSBWXRE-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

2,642

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Phenyl dichlorophosphate, 99%

CAS: 770-12-7 Molecular Formula: C₆H₅Cl₂O₂P Molecular Weight (g/mol): 210.98 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

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PubChem CID	13038
CAS	770-12-7
Molecular Weight (g/mol)	210.98
MDL Number	MFCD00002067
SMILES	C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym	phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name	dichlorophosphoryloxybenzene
InChI Key	TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula	C₆H₅Cl₂O₂P

2,643

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Phenyl phosphorodichloridate, 97%

CAS: 770-12-7 Molecular Formula: C6H5Cl2O2P Molecular Weight (g/mol): 210.978 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

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PubChem CID	13038
CAS	770-12-7
Molecular Weight (g/mol)	210.978
MDL Number	MFCD00002067
SMILES	C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym	phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name	dichlorophosphoryloxybenzene
InChI Key	TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula	C6H5Cl2O2P

2,644

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4-n-Decyloxybenzoic acid, 96%

CAS: 5519-23-3 Molecular Formula: C17H26O3 Molecular Weight (g/mol): 278.392 MDL Number: MFCD00020360 InChI Key: NZNICZRIRMGOFG-UHFFFAOYSA-N PubChem CID: 138527 IUPAC Name: 4-decoxybenzoic acid SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

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PubChem CID	138527
CAS	5519-23-3
Molecular Weight (g/mol)	278.392
MDL Number	MFCD00020360
SMILES	CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
IUPAC Name	4-decoxybenzoic acid
InChI Key	NZNICZRIRMGOFG-UHFFFAOYSA-N
Molecular Formula	C17H26O3

2,645

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Ethyl 4-ethoxybenzoate, 98%

CAS: 23676-09-7 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00009116 InChI Key: HRAQMGWTPNOILP-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate PubChem CID: 90232 IUPAC Name: ethyl 4-ethoxybenzoate SMILES: CCOC1=CC=C(C=C1)C(=O)OCC

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PubChem CID	90232
CAS	23676-09-7
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00009116
SMILES	CCOC1=CC=C(C=C1)C(=O)OCC
Synonym	benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate
IUPAC Name	ethyl 4-ethoxybenzoate
InChI Key	HRAQMGWTPNOILP-UHFFFAOYSA-N
Molecular Formula	C11H14O3

2,646

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(4-Benzyloxyphenyl)acetic acid, 99%, Thermo Scientific™

CAS: 6547-53-1 Molecular Formula: C₁₅H₁₄O₃ Molecular Weight (g/mol): 242.27 MDL Number: MFCD00017540 InChI Key: XJHGAJLIKDAOPE-UHFFFAOYSA-N Synonym: 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid PubChem CID: 81033 IUPAC Name: 2-(4-phenylmethoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O

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Specifications

PubChem CID	81033
CAS	6547-53-1
Molecular Weight (g/mol)	242.27
MDL Number	MFCD00017540
SMILES	C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
Synonym	4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid
IUPAC Name	2-(4-phenylmethoxyphenyl)acetic acid
InChI Key	XJHGAJLIKDAOPE-UHFFFAOYSA-N
Molecular Formula	C₁₅H₁₄O₃

2,647

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3-Ethoxybenzonitrile, 95%

CAS: 25117-75-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00001805 InChI Key: PFNAUBYHTWDKBO-UHFFFAOYSA-N Synonym: benzonitrile, 3-ethoxy,benzonitrile, m-ethoxy,m-ethoxy benzonitrile,acmc-20an4n,3-ethoxybenzenecarbonitrile,3-ethoxybenzoic acid nitrile PubChem CID: 91283 IUPAC Name: 3-ethoxybenzonitrile SMILES: CCOC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	91283
CAS	25117-75-3
Molecular Weight (g/mol)	147.18
MDL Number	MFCD00001805
SMILES	CCOC1=CC=CC(=C1)C#N
Synonym	benzonitrile, 3-ethoxy,benzonitrile, m-ethoxy,m-ethoxy benzonitrile,acmc-20an4n,3-ethoxybenzenecarbonitrile,3-ethoxybenzoic acid nitrile
IUPAC Name	3-ethoxybenzonitrile
InChI Key	PFNAUBYHTWDKBO-UHFFFAOYSA-N
Molecular Formula	C9H9NO

2,648

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Veratrole, 99%

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: 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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PubChem CID	7043
CAS	91-16-7
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:59114
MDL Number	MFCD00008357
SMILES	COC1=CC=CC=C1OC
Synonym	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
IUPAC Name	1,2-dimethoxybenzene
InChI Key	ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula	C8H10O2

2,649

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O-Phenylhydroxylamine hydrochloride, 97%

CAS: 6092-80-4 Molecular Formula: C₆H₇NO·ClH Molecular Weight (g/mol): 145.59 InChI Key: DBTXKJJSFWZJNS-UHFFFAOYSA-N Synonym: o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at PubChem CID: 6365179 IUPAC Name: O-phenylhydroxylamine;hydrochloride SMILES: C1=CC=C(C=C1)ON.Cl

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PubChem CID	6365179
CAS	6092-80-4
Molecular Weight (g/mol)	145.59
SMILES	C1=CC=C(C=C1)ON.Cl
Synonym	o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at
IUPAC Name	O-phenylhydroxylamine;hydrochloride
InChI Key	DBTXKJJSFWZJNS-UHFFFAOYSA-N
Molecular Formula	C₆H₇NO·ClH

2,650

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2,6-Dimethoxybenzonitrile, 97%, Thermo Scientific™

CAS: 16932-49-3 Molecular Formula: C₉H₉NO₂ Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001788 InChI Key: XHAHKSSLDJIEDH-UHFFFAOYSA-N Synonym: benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile PubChem CID: 85648 IUPAC Name: 2,6-dimethoxybenzonitrile SMILES: COC1=C(C(=CC=C1)OC)C#N

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PubChem CID	85648
CAS	16932-49-3
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00001788
SMILES	COC1=C(C(=CC=C1)OC)C#N
Synonym	benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile
IUPAC Name	2,6-dimethoxybenzonitrile
InChI Key	XHAHKSSLDJIEDH-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₂

2,651

4-Propoxybenzonitrile, 97%, Thermo Scientific™

CAS: 60758-84-1 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00173874 InChI Key: VYOPNUZYNSNYRA-UHFFFAOYSA-N Synonym: 4-propoxy-benzonitrile,4-propoxybenzenecarbonitrile,4-n-propoxybenzonitrile,benzonitrile, 4-propoxy PubChem CID: 322939 IUPAC Name: 4-propoxybenzonitrile SMILES: CCCOC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	322939
CAS	60758-84-1
Molecular Weight (g/mol)	161.204
MDL Number	MFCD00173874
SMILES	CCCOC1=CC=C(C=C1)C#N
Synonym	4-propoxy-benzonitrile,4-propoxybenzenecarbonitrile,4-n-propoxybenzonitrile,benzonitrile, 4-propoxy
IUPAC Name	4-propoxybenzonitrile
InChI Key	VYOPNUZYNSNYRA-UHFFFAOYSA-N
Molecular Formula	C10H11NO

2,652

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Diphenylphosphonic azide, 97%

CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

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Specifications

PubChem CID	123414
CAS	26386-88-9
Molecular Weight (g/mol)	275.20
MDL Number	MFCD00001987
SMILES	[N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym	diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av
IUPAC Name	[azido(phenoxy)phosphoryl]oxybenzene
InChI Key	SORGEQQSQGNZFI-UHFFFAOYSA-N
Molecular Formula	C12H10N3O3P

2,653

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1-Phenoxy-2-propanol, tech. 85%

CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1

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PubChem CID	92839
CAS	770-35-4
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00016861
SMILES	CC(O)COC1=CC=CC=C1
Synonym	1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312
IUPAC Name	1-phenoxypropan-2-ol
InChI Key	IBLKWZIFZMJLFL-UHFFFAOYNA-N
Molecular Formula	C9H12O2

2,654

4-(Phenoxymethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 31719-76-3 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00623268 InChI Key: GRBUVHSYBRTCIB-UHFFFAOYSA-M Synonym: 4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid PubChem CID: 737267 IUPAC Name: 4-(phenoxymethyl)benzoic acid SMILES: [O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	737267
CAS	31719-76-3
Molecular Weight (g/mol)	227.24
MDL Number	MFCD00623268
SMILES	[O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1
Synonym	4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid
IUPAC Name	4-(phenoxymethyl)benzoic acid
InChI Key	GRBUVHSYBRTCIB-UHFFFAOYSA-M
Molecular Formula	C14H11O3

2,655

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2,5-Dimethoxybenzonitrile, 98%

CAS: 5312-97-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00016375 InChI Key: HWAMEJIMXIXLIH-UHFFFAOYSA-N PubChem CID: 79200 IUPAC Name: 2,5-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)OC)C#N

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Specifications

PubChem CID	79200
CAS	5312-97-0
Molecular Weight (g/mol)	163.176
MDL Number	MFCD00016375
SMILES	COC1=CC(=C(C=C1)OC)C#N
IUPAC Name	2,5-dimethoxybenzonitrile
InChI Key	HWAMEJIMXIXLIH-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

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