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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1,081 – 1,095 of 78,418 results

1,081

cis-Dichlorobis(triphenylphosphine)platinum(II), Premion™, 99.95% (metals basis), Pt 24.2% min

CAS: 15604-36-1 Molecular Formula: C36H30Cl2P2Pt Molecular Weight (g/mol): 790.57 MDL Number: MFCD00010825 InChI Key: ILIBUWCDNDIUOT-UHFFFAOYSA-L Synonym: cis-?dichlorobis triphenylphosphine ?platinum ii PubChem CID: 131667321 IUPAC Name: platinum(2+);triphenylphosphane;dihydrochloride SMILES: Cl[Pt++]Cl.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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PubChem CID	131667321
CAS	15604-36-1
Molecular Weight (g/mol)	790.57
MDL Number	MFCD00010825
SMILES	Cl[Pt++]Cl.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
Synonym	cis-?dichlorobis triphenylphosphine ?platinum ii
IUPAC Name	platinum(2+);triphenylphosphane;dihydrochloride
InChI Key	ILIBUWCDNDIUOT-UHFFFAOYSA-L
Molecular Formula	C36H30Cl2P2Pt

1,082

4-Hydroxy-3,5-dimethoxyphenylacetic acid, 97%

CAS: 4385-56-2 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00016834 InChI Key: BQBQKSSTFGCRQL-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-4-hydroxyphenylacetic acid,homosyringic acid,2-4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenylacetic acid,benzeneacetic acid, 4-hydroxy-3,5-dimethoxy,acmc-1aewn,benzeneacetic acid,4-hydroxy-3,5-dimethoxy,4-hydroxy-3,5-dimethoxy-phenyl-acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid # PubChem CID: 78093 IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1O)OC)CC(=O)O

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Specifications

PubChem CID	78093
CAS	4385-56-2
Molecular Weight (g/mol)	212.201
MDL Number	MFCD00016834
SMILES	COC1=CC(=CC(=C1O)OC)CC(=O)O
Synonym	3,5-dimethoxy-4-hydroxyphenylacetic acid,homosyringic acid,2-4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenylacetic acid,benzeneacetic acid, 4-hydroxy-3,5-dimethoxy,acmc-1aewn,benzeneacetic acid,4-hydroxy-3,5-dimethoxy,4-hydroxy-3,5-dimethoxy-phenyl-acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid #
IUPAC Name	2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
InChI Key	BQBQKSSTFGCRQL-UHFFFAOYSA-N
Molecular Formula	C10H12O5

1,083

4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 175135-00-9 Molecular Formula: C12H7Cl2NO5S Molecular Weight (g/mol): 348.15 MDL Number: MFCD00052679 InChI Key: CRTUVOFOPIFTQS-UHFFFAOYSA-N Synonym: 4-2-chloro-6-nitrophenoxy benzene-1-sulfonyl chloride,4-2-chloro-6-nitrophenoxy benzenesulfonyl chloride,4-6-nitro-2-chlorophenoxy-benzenesulfonyl chloride,4-2-chloro-6-nitrophenoxy benzene-1-sulphonyl chloride PubChem CID: 2774276 IUPAC Name: 4-(2-chloro-6-nitrophenoxy)benzenesulfonyl chloride SMILES: C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	2774276
CAS	175135-00-9
Molecular Weight (g/mol)	348.15
MDL Number	MFCD00052679
SMILES	C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]
Synonym	4-2-chloro-6-nitrophenoxy benzene-1-sulfonyl chloride,4-2-chloro-6-nitrophenoxy benzenesulfonyl chloride,4-6-nitro-2-chlorophenoxy-benzenesulfonyl chloride,4-2-chloro-6-nitrophenoxy benzene-1-sulphonyl chloride
IUPAC Name	4-(2-chloro-6-nitrophenoxy)benzenesulfonyl chloride
InChI Key	CRTUVOFOPIFTQS-UHFFFAOYSA-N
Molecular Formula	C12H7Cl2NO5S

1,084

3-Cyanophenol, 97%

CAS: 873-62-1 Molecular Formula: C₇H₅NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00002252 InChI Key: SGHBRHKBCLLVCI-UHFFFAOYSA-N Synonym: 3-cyanophenol,m-hydroxybenzonitrile,m-cyanophenol,benzonitrile, 3-hydroxy,benzonitrile, m-hydroxy,3-hydroxy-benzonitrile,3-cyano phenol,3-cyano-phenol,3-hydroxy benzonitrile,pubchem13113 PubChem CID: 13394 IUPAC Name: 3-hydroxybenzonitrile SMILES: C1=CC(=CC(=C1)O)C#N

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Specifications

PubChem CID	13394
CAS	873-62-1
Molecular Weight (g/mol)	119.12
MDL Number	MFCD00002252
SMILES	C1=CC(=CC(=C1)O)C#N
Synonym	3-cyanophenol,m-hydroxybenzonitrile,m-cyanophenol,benzonitrile, 3-hydroxy,benzonitrile, m-hydroxy,3-hydroxy-benzonitrile,3-cyano phenol,3-cyano-phenol,3-hydroxy benzonitrile,pubchem13113
IUPAC Name	3-hydroxybenzonitrile
InChI Key	SGHBRHKBCLLVCI-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO

1,085

[3-(Pyrrolidin-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 91271-59-9 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.27 MDL Number: MFCD08690300 InChI Key: YMFREPVLJDRBOG-UHFFFAOYSA-N Synonym: 3-pyrrolidin-1-ylmethyl phenyl methanol,3-pyrrolidinylmethyl phenyl methan-1-ol,benzenemethanol,3-1-pyrrolidinylmethyl,3-pyrrolidin-1-yl methyl phenyl methanol PubChem CID: 16495038 IUPAC Name: [3-(pyrrolidin-1-ylmethyl)phenyl]methanol SMILES: OCC1=CC=CC(CN2CCCC2)=C1

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Specifications

PubChem CID	16495038
CAS	91271-59-9
Molecular Weight (g/mol)	191.27
MDL Number	MFCD08690300
SMILES	OCC1=CC=CC(CN2CCCC2)=C1
Synonym	3-pyrrolidin-1-ylmethyl phenyl methanol,3-pyrrolidinylmethyl phenyl methan-1-ol,benzenemethanol,3-1-pyrrolidinylmethyl,3-pyrrolidin-1-yl methyl phenyl methanol
IUPAC Name	[3-(pyrrolidin-1-ylmethyl)phenyl]methanol
InChI Key	YMFREPVLJDRBOG-UHFFFAOYSA-N
Molecular Formula	C12H17NO

1,086

3,5-Dimethoxybenzyl bromide, 95%

CAS: 877-88-3 Molecular Formula: C₉H₁₁BrO₂ Molecular Weight (g/mol): 231.08 MDL Number: MFCD01321368 InChI Key: BTHIGJGJAPYFSJ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1 PubChem CID: 1274490 IUPAC Name: 1-(bromomethyl)-3,5-dimethoxybenzene SMILES: COC1=CC(=CC(=C1)CBr)OC

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Specifications

PubChem CID	1274490
CAS	877-88-3
Molecular Weight (g/mol)	231.08
MDL Number	MFCD01321368
SMILES	COC1=CC(=CC(=C1)CBr)OC
Synonym	3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1
IUPAC Name	1-(bromomethyl)-3,5-dimethoxybenzene
InChI Key	BTHIGJGJAPYFSJ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁BrO₂

1,087

Methyl 4-amino-2-methoxybenzoate, 98%, Thermo Scientific Chemicals

CAS: 27492-84-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00017202 InChI Key: YUPQMVSYNJQULF-UHFFFAOYSA-N Synonym: methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 PubChem CID: 168705 IUPAC Name: methyl 4-amino-2-methoxybenzoate SMILES: COC(=O)C1=CC=C(N)C=C1OC

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Specifications

PubChem CID	168705
CAS	27492-84-8
Molecular Weight (g/mol)	181.19
MDL Number	MFCD00017202
SMILES	COC(=O)C1=CC=C(N)C=C1OC
Synonym	methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712
IUPAC Name	methyl 4-amino-2-methoxybenzoate
InChI Key	YUPQMVSYNJQULF-UHFFFAOYSA-N
Molecular Formula	C9H11NO3

1,088

4'-(4-Bromophenyl)acetophenone, 97%

CAS: 5731-01-1 MDL Number: MFCD00143242

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Specifications

CAS	5731-01-1
MDL Number	MFCD00143242

1,089

2,6-Dibromoaniline, 97%

CAS: 608-30-0 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007638 InChI Key: XIRRDAWDNHRRLB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l PubChem CID: 69098 IUPAC Name: 2,6-dibromoaniline SMILES: NC1=C(Br)C=CC=C1Br

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Specifications

PubChem CID	69098
CAS	608-30-0
Molecular Weight (g/mol)	250.92
MDL Number	MFCD00007638
SMILES	NC1=C(Br)C=CC=C1Br
Synonym	benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l
IUPAC Name	2,6-dibromoaniline
InChI Key	XIRRDAWDNHRRLB-UHFFFAOYSA-N
Molecular Formula	C6H5Br2N

1,090

3-Chloro-5-methylaniline, 95%

CAS: 29027-20-1 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD15527197 InChI Key: XUZCJDBXXYJXDD-UHFFFAOYSA-N Synonym: 3-chloro-5-methylbenzenamine,3-amino-5-chlorotoluene,3-chloro-5-methyl-phenylamine,benzenamine, 3-chloro-5-methyl,3-chloro-5-methyl-aniline,3-chloro-5-methylphenylamine,ksc497k2p PubChem CID: 12475434 IUPAC Name: 3-chloro-5-methylaniline SMILES: CC1=CC(N)=CC(Cl)=C1

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PubChem CID	12475434
CAS	29027-20-1
Molecular Weight (g/mol)	141.60
MDL Number	MFCD15527197
SMILES	CC1=CC(N)=CC(Cl)=C1
Synonym	3-chloro-5-methylbenzenamine,3-amino-5-chlorotoluene,3-chloro-5-methyl-phenylamine,benzenamine, 3-chloro-5-methyl,3-chloro-5-methyl-aniline,3-chloro-5-methylphenylamine,ksc497k2p
IUPAC Name	3-chloro-5-methylaniline
InChI Key	XUZCJDBXXYJXDD-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

1,091

1-Bromo-4-n-octylbenzene, 97%

CAS: 51554-93-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00038348 InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene PubChem CID: 142854 IUPAC Name: 1-bromo-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)Br

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Specifications

PubChem CID	142854
CAS	51554-93-9
Molecular Weight (g/mol)	269.226
MDL Number	MFCD00038348
SMILES	CCCCCCCCC1=CC=C(C=C1)Br
Synonym	1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene
IUPAC Name	1-bromo-4-octylbenzene
InChI Key	OOZQSVXPBCINJF-UHFFFAOYSA-N
Molecular Formula	C14H21Br

1,092

4-Chloro-2-methylphenol, 97%

CAS: 1570-64-5 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00002321 InChI Key: RHPUJHQBPORFGV-UHFFFAOYSA-N Synonym: 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri PubChem CID: 14855 ChEBI: CHEBI:1800 IUPAC Name: 4-chloro-2-methylphenol SMILES: CC1=C(C=CC(=C1)Cl)O

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Specifications

PubChem CID	14855
CAS	1570-64-5
Molecular Weight (g/mol)	142.582
ChEBI	CHEBI:1800
MDL Number	MFCD00002321
SMILES	CC1=C(C=CC(=C1)Cl)O
Synonym	4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri
IUPAC Name	4-chloro-2-methylphenol
InChI Key	RHPUJHQBPORFGV-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

1,093

p-Xylylene dichloride, 98%

CAS: 623-25-6 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl

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Specifications

PubChem CID	12171
CAS	623-25-6
Molecular Weight (g/mol)	175.052
MDL Number	MFCD00000920
SMILES	C1=CC(=CC=C1CCl)CCl
Synonym	1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772
IUPAC Name	1,4-bis(chloromethyl)benzene
InChI Key	ZZHIDJWUJRKHGX-UHFFFAOYSA-N
Molecular Formula	C8H8Cl2

1,094

3-Methylbenzyl alcohol, 98%, Thermo Scientific Chemicals

CAS: 587-03-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004646 InChI Key: JJCKHVUTVOPLBV-UHFFFAOYSA-N Synonym: 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol PubChem CID: 11476 ChEBI: CHEBI:27995 IUPAC Name: (3-methylphenyl)methanol SMILES: CC1=CC(=CC=C1)CO

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Specifications

PubChem CID	11476
CAS	587-03-1
Molecular Weight (g/mol)	122.167
ChEBI	CHEBI:27995
MDL Number	MFCD00004646
SMILES	CC1=CC(=CC=C1)CO
Synonym	3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol
IUPAC Name	(3-methylphenyl)methanol
InChI Key	JJCKHVUTVOPLBV-UHFFFAOYSA-N
Molecular Formula	C8H10O

1,095

5-Bromo-2-methoxyaniline, 97%

CAS: 6358-77-6 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD04037882 InChI Key: OPGNSNDTPPIYPG-UHFFFAOYSA-N Synonym: 5-bromo-2-methoxy aniline,2-amino-4-bromoanisole,5-bromo-o-anisidine,benzenamine, 5-bromo-2-methoxy,5-bromo-2-methoxy-aniline,4-bromo-2-aminoanisole,2-methoxy-5-bromoaniline,acmc-1b9k2,5-bromo-2-methoxyphenylamine,5-bromo-2-methyloxy aniline PubChem CID: 3585328 IUPAC Name: 5-bromo-2-methoxyaniline SMILES: COC1=C(N)C=C(Br)C=C1

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Specifications

PubChem CID	3585328
CAS	6358-77-6
Molecular Weight (g/mol)	202.05
MDL Number	MFCD04037882
SMILES	COC1=C(N)C=C(Br)C=C1
Synonym	5-bromo-2-methoxy aniline,2-amino-4-bromoanisole,5-bromo-o-anisidine,benzenamine, 5-bromo-2-methoxy,5-bromo-2-methoxy-aniline,4-bromo-2-aminoanisole,2-methoxy-5-bromoaniline,acmc-1b9k2,5-bromo-2-methoxyphenylamine,5-bromo-2-methyloxy aniline
IUPAC Name	5-bromo-2-methoxyaniline
InChI Key	OPGNSNDTPPIYPG-UHFFFAOYSA-N
Molecular Formula	C7H8BrNO

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