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 57,283 results

2,641

o-Phenetidine, 99%

CAS: 94-70-2 Molecular Formula: C₈H₁₁NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007689 InChI Key: ULHFFAFDSSHFDA-UHFFFAOYSA-N Synonym: o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy PubChem CID: 7203 IUPAC Name: 2-ethoxyaniline SMILES: CCOC1=CC=CC=C1N

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PubChem CID	7203
CAS	94-70-2
Molecular Weight (g/mol)	137.18
MDL Number	MFCD00007689
SMILES	CCOC1=CC=CC=C1N
Synonym	o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy
IUPAC Name	2-ethoxyaniline
InChI Key	ULHFFAFDSSHFDA-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁NO

2,642

4-n-Octyloxybenzonitrile, 98%

CAS: 88374-55-4 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.339 MDL Number: MFCD00043483 InChI Key: GFNSBTARZPEIPN-UHFFFAOYSA-N Synonym: 4-n-octyloxybenzonitrile,p-octyloxybenzonitrile,4-octyloxy benzonitrile,4-octyloxybenzonitrile,p-octyloxy benzonitrile,4-octyloxybenzenecarbonitrile,4-n-octyloxycyanobenzene,4-octyloxy benzonitrile # PubChem CID: 145161 IUPAC Name: 4-octoxybenzonitrile SMILES: CCCCCCCCOC1=CC=C(C=C1)C#N

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PubChem CID	145161
CAS	88374-55-4
Molecular Weight (g/mol)	231.339
MDL Number	MFCD00043483
SMILES	CCCCCCCCOC1=CC=C(C=C1)C#N
Synonym	4-n-octyloxybenzonitrile,p-octyloxybenzonitrile,4-octyloxy benzonitrile,4-octyloxybenzonitrile,p-octyloxy benzonitrile,4-octyloxybenzenecarbonitrile,4-n-octyloxycyanobenzene,4-octyloxy benzonitrile #
IUPAC Name	4-octoxybenzonitrile
InChI Key	GFNSBTARZPEIPN-UHFFFAOYSA-N
Molecular Formula	C15H21NO

2,643

4-n-Propoxyaniline, 97%

CAS: 4469-80-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00043621 InChI Key: DWOIGSLSPPLRKO-UHFFFAOYSA-N Synonym: p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine PubChem CID: 78221 IUPAC Name: 4-propoxyaniline SMILES: CCCOC1=CC=C(N)C=C1

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Specifications

PubChem CID	78221
CAS	4469-80-1
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00043621
SMILES	CCCOC1=CC=C(N)C=C1
Synonym	p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine
IUPAC Name	4-propoxyaniline
InChI Key	DWOIGSLSPPLRKO-UHFFFAOYSA-N
Molecular Formula	C9H13NO

2,644

Phenyl chloroformate, 99%

CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	15891
CAS	1885-14-9
Molecular Weight (g/mol)	156.57
MDL Number	MFCD00000637
SMILES	ClC(=O)OC1=CC=CC=C1
Synonym	phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y
IUPAC Name	phenyl carbonochloridate
InChI Key	AHWALFGBDFAJAI-UHFFFAOYSA-N
Molecular Formula	C7H5ClO2

2,645

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

2,646

4-n-Dodecyloxybenzoic acid, 98%

CAS: 2312-15-4 Molecular Formula: C19H30O3 Molecular Weight (g/mol): 306.45 MDL Number: MFCD00002543 InChI Key: ALQLYJHDBAKLBB-UHFFFAOYSA-N Synonym: 4-dodecyloxy benzoic acid,p-dodecyloxybenzoic acid,4-n-dodecyloxybenzoic acid,4-dodecyloxybenzoic acid,benzoic acid, 4-dodecyloxy,benzoic acid, p-dodecyloxy,p-dodecyloxy benzoic acid,4-dodecyloxy benzoicacid,pubchem2685,acmc-1crse PubChem CID: 75330 IUPAC Name: 4-dodecoxybenzoic acid SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	75330
CAS	2312-15-4
Molecular Weight (g/mol)	306.45
MDL Number	MFCD00002543
SMILES	CCCCCCCCCCCCOC1=CC=C(C=C1)C(O)=O
Synonym	4-dodecyloxy benzoic acid,p-dodecyloxybenzoic acid,4-n-dodecyloxybenzoic acid,4-dodecyloxybenzoic acid,benzoic acid, 4-dodecyloxy,benzoic acid, p-dodecyloxy,p-dodecyloxy benzoic acid,4-dodecyloxy benzoicacid,pubchem2685,acmc-1crse
IUPAC Name	4-dodecoxybenzoic acid
InChI Key	ALQLYJHDBAKLBB-UHFFFAOYSA-N
Molecular Formula	C19H30O3

2,647

2-Phenoxyethanol, BAKER™, J.T. Baker™

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: 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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PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

2,648

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

2,649

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, 98%

CAS: 162401-62-9 Molecular Formula: C12H12F2O4 Molecular Weight (g/mol): 258.221 MDL Number: MFCD04621687 InChI Key: IGFDIFLMMLWKKY-UHFFFAOYSA-N Synonym: 3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid PubChem CID: 2394006 IUPAC Name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F

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Specifications

PubChem CID	2394006
CAS	162401-62-9
Molecular Weight (g/mol)	258.221
MDL Number	MFCD04621687
SMILES	C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F
Synonym	3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid
IUPAC Name	3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
InChI Key	IGFDIFLMMLWKKY-UHFFFAOYSA-N
Molecular Formula	C12H12F2O4

2,650

4-Allyl-2,6-dimethoxyphenol, 98%

CAS: 6627-88-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008655 InChI Key: FWMPKHMKIJDEMJ-UHFFFAOYSA-N Synonym: 4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene PubChem CID: 226486 ChEBI: CHEBI:86562 IUPAC Name: 2,6-dimethoxy-4-prop-2-enylphenol SMILES: COC1=CC(CC=C)=CC(OC)=C1O

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PubChem CID	226486
CAS	6627-88-9
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:86562
MDL Number	MFCD00008655
SMILES	COC1=CC(CC=C)=CC(OC)=C1O
Synonym	4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene
IUPAC Name	2,6-dimethoxy-4-prop-2-enylphenol
InChI Key	FWMPKHMKIJDEMJ-UHFFFAOYSA-N
Molecular Formula	C11H14O3

2,651

4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

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Specifications

PubChem CID	24229686
CAS	906353-00-2
Molecular Weight (g/mol)	230.22
MDL Number	MFCD09817529
SMILES	CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym	4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key	PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula	C12H10N2O3

2,652

(Trifluoromethoxy)benzene, 99%

CAS: 456-55-3 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00040832 InChI Key: GQHWSLKNULCZGI-UHFFFAOYSA-N Synonym: trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene PubChem CID: 68010 IUPAC Name: trifluoromethoxybenzene SMILES: FC(F)(F)OC1=CC=CC=C1

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Specifications

PubChem CID	68010
CAS	456-55-3
Molecular Weight (g/mol)	162.11
MDL Number	MFCD00040832
SMILES	FC(F)(F)OC1=CC=CC=C1
Synonym	trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene
IUPAC Name	trifluoromethoxybenzene
InChI Key	GQHWSLKNULCZGI-UHFFFAOYSA-N
Molecular Formula	C7H5F3O

2,653

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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Specifications

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

2,654

Phenyl formate, 95%

CAS: 1864-94-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00014126 InChI Key: GEOWCLRLLWTHDN-UHFFFAOYSA-N Synonym: formic acid phenyl ester,formic acid, phenyl ester,phocho,formic acid, phenylester,acmc-1box2,phenyl formate gc PubChem CID: 74626 IUPAC Name: phenyl formate SMILES: C1=CC=C(C=C1)OC=O

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Specifications

PubChem CID	74626
CAS	1864-94-4
Molecular Weight (g/mol)	122.123
MDL Number	MFCD00014126
SMILES	C1=CC=C(C=C1)OC=O
Synonym	formic acid phenyl ester,formic acid, phenyl ester,phocho,formic acid, phenylester,acmc-1box2,phenyl formate gc
IUPAC Name	phenyl formate
InChI Key	GEOWCLRLLWTHDN-UHFFFAOYSA-N
Molecular Formula	C7H6O2

2,655

Diphenyl N-cyanocarbonimidate, 97%

CAS: 79463-77-7 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.25 MDL Number: MFCD00010380 InChI Key: SLIKWVTWIGHFJE-UHFFFAOYSA-N Synonym: diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile PubChem CID: 688090 SMILES: N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1

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Specifications

PubChem CID	688090
CAS	79463-77-7
Molecular Weight (g/mol)	238.25
MDL Number	MFCD00010380
SMILES	N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym	diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile
InChI Key	SLIKWVTWIGHFJE-UHFFFAOYSA-N
Molecular Formula	C14H10N2O2

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