Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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6,046 – 6,060 of 158,371 results

6,046

Lithium Tetrakis(pentafluorophenyl)borate - Ethyl Ether Complex 70.0+%, TCI America™

CAS: 155543-02-5 Molecular Formula: C28H10BF20LiO Molecular Weight (g/mol): 760.105 MDL Number: MFCD01861289 InChI Key: KPLZKJQZPFREPG-UHFFFAOYSA-N PubChem CID: 23701484 IUPAC Name: lithium;ethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide SMILES: [Li+].[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CCOCC

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PubChem CID	23701484
CAS	155543-02-5
Molecular Weight (g/mol)	760.105
MDL Number	MFCD01861289
SMILES	[Li+].[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CCOCC
IUPAC Name	lithium;ethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
InChI Key	KPLZKJQZPFREPG-UHFFFAOYSA-N
Molecular Formula	C28H10BF20LiO

6,047

Clotrimazole 98.0+%, TCI America™

CAS: 23593-75-1 Molecular Formula: C22H17ClN2 Molecular Weight (g/mol): 344.842 MDL Number: MFCD00057220 InChI Key: VNFPBHJOKIVQEB-UHFFFAOYSA-N Synonym: clotrimazole,lotrimin,canesten,mycelex,mycosporin,empecid,clotrimazol,mykosporin,gyne lotrimin,chlotrimazole PubChem CID: 2812 ChEBI: CHEBI:3764 IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4

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Specifications

PubChem CID	2812
CAS	23593-75-1
Molecular Weight (g/mol)	344.842
ChEBI	CHEBI:3764
MDL Number	MFCD00057220
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
Synonym	clotrimazole,lotrimin,canesten,mycelex,mycosporin,empecid,clotrimazol,mykosporin,gyne lotrimin,chlotrimazole
IUPAC Name	1-[(2-chlorophenyl)-diphenylmethyl]imidazole
InChI Key	VNFPBHJOKIVQEB-UHFFFAOYSA-N
Molecular Formula	C22H17ClN2

6,048

Bis(phenylthio)methane 97.0+%, TCI America™

CAS: 3561-67-9 Molecular Formula: C13H12S2 Molecular Weight (g/mol): 232.359 MDL Number: MFCD00003067 InChI Key: ZHUPZVIALZHGGP-UHFFFAOYSA-N Synonym: bis phenylthio methane,methylenebis thio bisbenzene,bis phenyithio methane,formaldehyde diphenyl mercaptal,1,1'-methylenebis thio bisbenzene,phenylsulfanyl methyl sulfanyl benzene,1-phenylthio methyl thio benzene,bis thiophenoxy methane PubChem CID: 77097 IUPAC Name: phenylsulfanylmethylsulfanylbenzene SMILES: C1=CC=C(C=C1)SCSC2=CC=CC=C2

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Specifications

PubChem CID	77097
CAS	3561-67-9
Molecular Weight (g/mol)	232.359
MDL Number	MFCD00003067
SMILES	C1=CC=C(C=C1)SCSC2=CC=CC=C2
Synonym	bis phenylthio methane,methylenebis thio bisbenzene,bis phenyithio methane,formaldehyde diphenyl mercaptal,1,1'-methylenebis thio bisbenzene,phenylsulfanyl methyl sulfanyl benzene,1-phenylthio methyl thio benzene,bis thiophenoxy methane
IUPAC Name	phenylsulfanylmethylsulfanylbenzene
InChI Key	ZHUPZVIALZHGGP-UHFFFAOYSA-N
Molecular Formula	C13H12S2

6,049

Styrene (stabilized with TBC) 99.0+%, TCI America™

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: ethenylbenzene SMILES: C=CC1=CC=CC=C1

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Specifications

PubChem CID	7501
CAS	100-42-5
Molecular Weight (g/mol)	104.15
ChEBI	CHEBI:27452
MDL Number	MFCD00008612,MFCD00084450
SMILES	C=CC1=CC=CC=C1
Synonym	ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene
IUPAC Name	ethenylbenzene
InChI Key	PPBRXRYQALVLMV-UHFFFAOYSA-N
Molecular Formula	C8H8

6,050

alpha,alpha'-Dibromo-o-xylene 98.0+%, TCI America™

CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

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PubChem CID	66665
CAS	91-13-4
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000175
SMILES	C1=CC=C(C(=C1)CBr)CBr
Synonym	1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name	1,2-bis(bromomethyl)benzene
InChI Key	KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

6,051

4-Bromo-1,2-dimethoxybenzene 97.0+%, TCI America™

CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC

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Specifications

PubChem CID	76114
CAS	2859-78-1
Molecular Weight (g/mol)	217.062
MDL Number	MFCD00008381
SMILES	COC1=C(C=C(C=C1)Br)OC
Synonym	4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol
IUPAC Name	4-bromo-1,2-dimethoxybenzene
InChI Key	KBTMGSMZIKLAHN-UHFFFAOYSA-N
Molecular Formula	C8H9BrO2

6,052

4-Bromophenol 98.0+%, TCI America™

CAS: 106-41-2 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.009 MDL Number: MFCD00002313 InChI Key: GZFGOTFRPZRKDS-UHFFFAOYSA-N Synonym: p-bromophenol,phenol, 4-bromo,p-bromohydroxybenzene,4-bromo-phenol,p-bromophenic acid,phenol, p-bromo,para-bromophenol,4-bromo phenol,unii-lao4j0183i,ccris 632 PubChem CID: 7808 IUPAC Name: 4-bromophenol SMILES: C1=CC(=CC=C1O)Br

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Specifications

PubChem CID	7808
CAS	106-41-2
Molecular Weight (g/mol)	173.009
MDL Number	MFCD00002313
SMILES	C1=CC(=CC=C1O)Br
Synonym	p-bromophenol,phenol, 4-bromo,p-bromohydroxybenzene,4-bromo-phenol,p-bromophenic acid,phenol, p-bromo,para-bromophenol,4-bromo phenol,unii-lao4j0183i,ccris 632
IUPAC Name	4-bromophenol
InChI Key	GZFGOTFRPZRKDS-UHFFFAOYSA-N
Molecular Formula	C6H5BrO

6,053

N-Methyl-m-toluidine 98.0+%, TCI America™

CAS: 696-44-6 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00035787 InChI Key: FBGJJTQNZVNEQU-UHFFFAOYSA-N Synonym: n-methyl-m-toluidine,benzenamine, n,3-dimethyl,3-methylamino toluene,m,n-dimethylaniline,m-toluidine, n-methyl,n-methyl-3-methylaniline,n-3-dimethylbenzenamine,aniline, n,m-dimethyl,3,n-dimethylaniline,n-methyl-3-toluidine PubChem CID: 69675 IUPAC Name: N,3-dimethylaniline SMILES: CC1=CC(=CC=C1)NC

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PubChem CID	69675
CAS	696-44-6
Molecular Weight (g/mol)	121.183
MDL Number	MFCD00035787
SMILES	CC1=CC(=CC=C1)NC
Synonym	n-methyl-m-toluidine,benzenamine, n,3-dimethyl,3-methylamino toluene,m,n-dimethylaniline,m-toluidine, n-methyl,n-methyl-3-methylaniline,n-3-dimethylbenzenamine,aniline, n,m-dimethyl,3,n-dimethylaniline,n-methyl-3-toluidine
IUPAC Name	N,3-dimethylaniline
InChI Key	FBGJJTQNZVNEQU-UHFFFAOYSA-N
Molecular Formula	C8H11N

6,054

Benzophenone Imine 95.0+%, TCI America™

CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2

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Specifications

PubChem CID	136809
CAS	1013-88-3
Molecular Weight (g/mol)	181.238
MDL Number	MFCD00001760
SMILES	C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
Synonym	benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl
IUPAC Name	diphenylmethanimine
InChI Key	SXZIXHOMFPUIRK-UHFFFAOYSA-N
Molecular Formula	C13H11N

6,055

4-Methoxybenzyl Chloride (stabilized with Amylene) 98.0+%, TCI America™

CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl

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PubChem CID	69993
CAS	824-94-2
Molecular Weight (g/mol)	156.609
MDL Number	MFCD00000915
SMILES	COC1=CC=C(C=C1)CCl
Synonym	4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl
IUPAC Name	1-(chloromethyl)-4-methoxybenzene
InChI Key	MOHYOXXOKFQHDC-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

6,056

4-Phenoxyphenol 99.0+%, TCI America™

CAS: 831-82-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00002331 InChI Key: ZSBDGXGICLIJGD-UHFFFAOYSA-N Synonym: p-phenoxyphenol,4-hydroxydiphenyl ether,phenol, 4-phenoxy,p-hydroxydiphenyl ether,phenol, p-phenoxy,hydroquinone monophenyl ether,unii-d83r742gjr,4-phenyloxy phenol,4-phenoxy phenol,4-phenoxy-phenol PubChem CID: 13254 ChEBI: CHEBI:39264 IUPAC Name: 4-phenoxyphenol SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)O

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Specifications

PubChem CID	13254
CAS	831-82-3
Molecular Weight (g/mol)	186.21
ChEBI	CHEBI:39264
MDL Number	MFCD00002331
SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)O
Synonym	p-phenoxyphenol,4-hydroxydiphenyl ether,phenol, 4-phenoxy,p-hydroxydiphenyl ether,phenol, p-phenoxy,hydroquinone monophenyl ether,unii-d83r742gjr,4-phenyloxy phenol,4-phenoxy phenol,4-phenoxy-phenol
IUPAC Name	4-phenoxyphenol
InChI Key	ZSBDGXGICLIJGD-UHFFFAOYSA-N
Molecular Formula	C12H10O2

6,057

p-Anisic Acid 99.0+%, TCI America™

CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O

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PubChem CID	7478
CAS	100-09-4
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:40813
MDL Number	MFCD00002542
SMILES	COC1=CC=C(C=C1)C(O)=O
Synonym	p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer
IUPAC Name	4-methoxybenzoic acid
InChI Key	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Molecular Formula	C8H8O3

6,058

Benzethonium Chloride 97.0+%, TCI America™

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.088 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

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PubChem CID	8478
CAS	121-54-0
Molecular Weight (g/mol)	448.088
ChEBI	CHEBI:31264
MDL Number	MFCD00011742
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

6,059

2,6-Bis(hydroxymethyl)-p-cresol 98.0+%, TCI America™

CAS: 91-04-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004619 InChI Key: KUMMBDBTERQYCG-UHFFFAOYSA-N Synonym: 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene PubChem CID: 7039 IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol SMILES: CC1=CC(=C(C(=C1)CO)O)CO

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Specifications

PubChem CID	7039
CAS	91-04-3
Molecular Weight (g/mol)	168.192
MDL Number	MFCD00004619
SMILES	CC1=CC(=C(C(=C1)CO)O)CO
Synonym	2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene
IUPAC Name	2,6-bis(hydroxymethyl)-4-methylphenol
InChI Key	KUMMBDBTERQYCG-UHFFFAOYSA-N
Molecular Formula	C9H12O3

6,060

Propylbenzene 99.0+%, TCI America™

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

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Specifications

PubChem CID	7668
CAS	103-65-1
Molecular Weight (g/mol)	120.20
ChEBI	CHEBI:42630
MDL Number	MFCD00009377
SMILES	CCCC1=CC=CC=C1
Synonym	n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n
IUPAC Name	propylbenzene
InChI Key	ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Formula	C9H12

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