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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.
Benzene and substituted derivatives (64,917)
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3,631 – 3,645 of 73,799 results
3,631

3-Bromo-5-fluorobenzonitrile, 98%

CAS: 179898-34-1 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD04038227 InChI Key: IADLVSLZPQYXIF-UHFFFAOYSA-N Synonym: 3-fluoro-5-bromobenzonitrile,benzonitrile, 3-bromo-5-fluoro,5-bromo-3-fluorobenzenecarbonitrile,3-cyano-5-fluorobromobenzene,3-bromo 5-fluorobenzonitrile,3-bromo-5-fluoro-benzonitrile,3-bromo-5-fluorobenzenecarbonitrile,pubchem3220,acmc-209yem,3-fluoro-5-bromobenzonitile PubChem CID: 2783330 IUPAC Name: 3-bromo-5-fluorobenzonitrile SMILES: FC1=CC(Br)=CC(=C1)C#N

PubChem CID 2783330
CAS 179898-34-1
Molecular Weight (g/mol) 200.01
MDL Number MFCD04038227
SMILES FC1=CC(Br)=CC(=C1)C#N
Synonym 3-fluoro-5-bromobenzonitrile,benzonitrile, 3-bromo-5-fluoro,5-bromo-3-fluorobenzenecarbonitrile,3-cyano-5-fluorobromobenzene,3-bromo 5-fluorobenzonitrile,3-bromo-5-fluoro-benzonitrile,3-bromo-5-fluorobenzenecarbonitrile,pubchem3220,acmc-209yem,3-fluoro-5-bromobenzonitile
IUPAC Name 3-bromo-5-fluorobenzonitrile
InChI Key IADLVSLZPQYXIF-UHFFFAOYSA-N
Molecular Formula C7H3BrFN
3,632

Methyl 6-bromo-2-naphthoate, 98%

CAS: 33626-98-1 Molecular Formula: C12H9BrO2 Molecular Weight (g/mol): 265.106 MDL Number: MFCD00100408 InChI Key: JEUBRLPXJZOGPX-UHFFFAOYSA-N Synonym: methyl 6-bromo-2-naphthoate,methyl6-bromo-2-naphthoate,6-bromo-2-naphthalenecarboxylic acid methyl ester,6-bromo-2-naphthoic acid methyl ester,2-naphthalenecarboxylic acid, 6-bromo-, methyl ester,6-bromonaphthalene-2-carboxylic acid methyl ester,6-bromo-naphthalene-2-carboxylic acid methyl ester,pubchem9467,acmc-209i1z,6-bromo-2-methylnaphthoate PubChem CID: 854134 IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

PubChem CID 854134
CAS 33626-98-1
Molecular Weight (g/mol) 265.106
MDL Number MFCD00100408
SMILES COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
Synonym methyl 6-bromo-2-naphthoate,methyl6-bromo-2-naphthoate,6-bromo-2-naphthalenecarboxylic acid methyl ester,6-bromo-2-naphthoic acid methyl ester,2-naphthalenecarboxylic acid, 6-bromo-, methyl ester,6-bromonaphthalene-2-carboxylic acid methyl ester,6-bromo-naphthalene-2-carboxylic acid methyl ester,pubchem9467,acmc-209i1z,6-bromo-2-methylnaphthoate
IUPAC Name methyl 6-bromonaphthalene-2-carboxylate
InChI Key JEUBRLPXJZOGPX-UHFFFAOYSA-N
Molecular Formula C12H9BrO2
3,633

Chlorobis(4-fluorophenyl)phosphine, 98%

CAS: 23039-97-6 Molecular Formula: C12H8ClF2P Molecular Weight (g/mol): 256.617 MDL Number: MFCD04972302 InChI Key: PYFWYPBHSZATST-UHFFFAOYSA-N Synonym: bis 4-fluorophenyl chlorophosphine,chlorobis 4-fluorophenyl phosphine,chloro-bis 4-fluorophenyl phosphane,chlorobis 4-fluorophenyl phosphane,acmc-20alnm,bis-4-fluorophenyl chlorophosphine,phosphinous chloride,p,p-bis 4-fluorophenyl PubChem CID: 4379931 IUPAC Name: chloro-bis(4-fluorophenyl)phosphane SMILES: C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)Cl

PubChem CID 4379931
CAS 23039-97-6
Molecular Weight (g/mol) 256.617
MDL Number MFCD04972302
SMILES C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)Cl
Synonym bis 4-fluorophenyl chlorophosphine,chlorobis 4-fluorophenyl phosphine,chloro-bis 4-fluorophenyl phosphane,chlorobis 4-fluorophenyl phosphane,acmc-20alnm,bis-4-fluorophenyl chlorophosphine,phosphinous chloride,p,p-bis 4-fluorophenyl
IUPAC Name chloro-bis(4-fluorophenyl)phosphane
InChI Key PYFWYPBHSZATST-UHFFFAOYSA-N
Molecular Formula C12H8ClF2P
3,634

Isoeugenol, cis + trans, 98%

CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: 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 IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol SMILES: COC1=CC(\C=C\C)=CC=C1O

PubChem CID 853433
CAS 97-54-1
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:50545
MDL Number MFCD00009285
SMILES COC1=CC(\C=C\C)=CC=C1O
Synonym 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
IUPAC Name 2-methoxy-4-[(E)-prop-1-enyl]phenol
InChI Key BJIOGJUNALELMI-ONEGZZNKSA-N
Molecular Formula C10H12O2
3,635

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00024261 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

PubChem CID 219633
CAS 606-18-8
Molecular Weight (g/mol) 182.135
MDL Number MFCD00024261
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
3,636

3-Fluoro-4-nitrobenzyl bromide, 97%

CAS: 131858-37-2 Molecular Formula: C7H5BrFNO2 Molecular Weight (g/mol): 234.02 MDL Number: MFCD03094237 InChI Key: ZOZJSWIXPIVMRU-UHFFFAOYSA-N Synonym: 3-fluoro-4-nitrobenzyl bromide,4-bromomethyl-2-fluoro-1-nitrobenzene,4-bromomethyl-2-fluoronitrobenzene,benzene, 4-bromomethyl-2-fluoro-1-nitro,intermediates-zcf02012,acmc-1c6h7,4-bromomethyl-2-fluoro-1-nitro-benzene,benzene,4-bromomethyl-2-fluoro-1-nitro,4-bromomethyl-2-fluoranyl-1-nitro-benzene PubChem CID: 2774661 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-nitrobenzene SMILES: [O-][N+](=O)C1=C(F)C=C(CBr)C=C1

PubChem CID 2774661
CAS 131858-37-2
Molecular Weight (g/mol) 234.02
MDL Number MFCD03094237
SMILES [O-][N+](=O)C1=C(F)C=C(CBr)C=C1
Synonym 3-fluoro-4-nitrobenzyl bromide,4-bromomethyl-2-fluoro-1-nitrobenzene,4-bromomethyl-2-fluoronitrobenzene,benzene, 4-bromomethyl-2-fluoro-1-nitro,intermediates-zcf02012,acmc-1c6h7,4-bromomethyl-2-fluoro-1-nitro-benzene,benzene,4-bromomethyl-2-fluoro-1-nitro,4-bromomethyl-2-fluoranyl-1-nitro-benzene
IUPAC Name 4-(bromomethyl)-2-fluoro-1-nitrobenzene
InChI Key ZOZJSWIXPIVMRU-UHFFFAOYSA-N
Molecular Formula C7H5BrFNO2
3,637

alpha,2-Dimethylstyrene, 99%

CAS: 26444-18-8 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N Synonym: 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C

PubChem CID 81886
CAS 26444-18-8
Molecular Weight (g/mol) 132.206
MDL Number MFCD00049092
SMILES CC1=CC=CC=C1C(=C)C
Synonym 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene
IUPAC Name 1-methyl-2-prop-1-en-2-ylbenzene
InChI Key OGMSGZZPTQNTIK-UHFFFAOYSA-N
Molecular Formula C10H12
3,638

4-Cyanobiphenyl, 95%

CAS: 2920-38-9 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.22 MDL Number: MFCD00001821 InChI Key: BPMBNLJJRKCCRT-UHFFFAOYSA-N Synonym: 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl PubChem CID: 18021 IUPAC Name: 4-phenylbenzonitrile SMILES: N#CC1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 18021
CAS 2920-38-9
Molecular Weight (g/mol) 179.22
MDL Number MFCD00001821
SMILES N#CC1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl
IUPAC Name 4-phenylbenzonitrile
InChI Key BPMBNLJJRKCCRT-UHFFFAOYSA-N
Molecular Formula C13H9N
3,639

4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 878572-17-9 Molecular Formula: C8H3F4NO4 Molecular Weight (g/mol): 253.109 MDL Number: MFCD08282778 InChI Key: XCZRYPKVIJEHSU-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl PubChem CID: 24721083 IUPAC Name: 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O

PubChem CID 24721083
CAS 878572-17-9
Molecular Weight (g/mol) 253.109
MDL Number MFCD08282778
SMILES C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O
Synonym 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl
IUPAC Name 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI Key XCZRYPKVIJEHSU-UHFFFAOYSA-N
Molecular Formula C8H3F4NO4
3,640

4-Bromobenzyl mercaptan, 98%

CAS: 19552-10-4 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.097 MDL Number: MFCD03701566 InChI Key: CUCKXDPCCYHFMQ-UHFFFAOYSA-N Synonym: 4-bromobenzyl mercaptan,4-bromophenyl methanethiol,4-bromobenzylmercaptan,4-bromophenyl methane-1-thiol,acmc-20ammu,pubchem6868,4-bromo-a-toluenethiol,4-bromo-,a-toluenethiol,4-bromo-alpha-toluenethiol PubChem CID: 271218 IUPAC Name: (4-bromophenyl)methanethiol SMILES: C1=CC(=CC=C1CS)Br

PubChem CID 271218
CAS 19552-10-4
Molecular Weight (g/mol) 203.097
MDL Number MFCD03701566
SMILES C1=CC(=CC=C1CS)Br
Synonym 4-bromobenzyl mercaptan,4-bromophenyl methanethiol,4-bromobenzylmercaptan,4-bromophenyl methane-1-thiol,acmc-20ammu,pubchem6868,4-bromo-a-toluenethiol,4-bromo-,a-toluenethiol,4-bromo-alpha-toluenethiol
IUPAC Name (4-bromophenyl)methanethiol
InChI Key CUCKXDPCCYHFMQ-UHFFFAOYSA-N
Molecular Formula C7H7BrS
3,641

2-Bromobenzyl mercaptan, 99%

CAS: 143888-85-1 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.10 MDL Number: MFCD04038925 InChI Key: UJNSDLRPHRMVGZ-UHFFFAOYSA-N Synonym: 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 PubChem CID: 2773673 IUPAC Name: (2-bromophenyl)methanethiol SMILES: SCC1=CC=CC=C1Br

PubChem CID 2773673
CAS 143888-85-1
Molecular Weight (g/mol) 203.10
MDL Number MFCD04038925
SMILES SCC1=CC=CC=C1Br
Synonym 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847
IUPAC Name (2-bromophenyl)methanethiol
InChI Key UJNSDLRPHRMVGZ-UHFFFAOYSA-N
Molecular Formula C7H7BrS
3,642

Bis(p-toluenesulfonyl)methane, 97%

CAS: 15310-28-8 Molecular Formula: C15H16O4S2 Molecular Weight (g/mol): 324.41 MDL Number: MFCD00032255 InChI Key: XLOXYWLRAKCDQL-UHFFFAOYSA-N Synonym: ditosylmethane,bis-toluene-4-sulfonyl-methane,1-methyl-4-4-methylbenzenesulfonyl methanesulfonyl benzene,1,1'-methanediyldisulfonyl bis 4-methylbenzene,acmc-20allu,bis p-tolylsulfonyl methane,bis p-toluenesulfonyl methane,bis-toluene-4-sulfonyl methane,1,1'-methylenedisulfonyl bis 4-methylbenzene,benzene,1,1'-methylenebis sulfonyl bis 4-methyl PubChem CID: 275690 IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C1=CC=C(C)C=C1

PubChem CID 275690
CAS 15310-28-8
Molecular Weight (g/mol) 324.41
MDL Number MFCD00032255
SMILES CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C1=CC=C(C)C=C1
Synonym ditosylmethane,bis-toluene-4-sulfonyl-methane,1-methyl-4-4-methylbenzenesulfonyl methanesulfonyl benzene,1,1'-methanediyldisulfonyl bis 4-methylbenzene,acmc-20allu,bis p-tolylsulfonyl methane,bis p-toluenesulfonyl methane,bis-toluene-4-sulfonyl methane,1,1'-methylenedisulfonyl bis 4-methylbenzene,benzene,1,1'-methylenebis sulfonyl bis 4-methyl
IUPAC Name 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
InChI Key XLOXYWLRAKCDQL-UHFFFAOYSA-N
Molecular Formula C15H16O4S2
3,643

2-Nitroterephthalic acid 4-methyl ester, 97%

CAS: 55737-66-1 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD06203344 InChI Key: VULISSQANNKDCH-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester PubChem CID: 21906474 SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 21906474
CAS 55737-66-1
Molecular Weight (g/mol) 225.156
MDL Number MFCD06203344
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester
InChI Key VULISSQANNKDCH-UHFFFAOYSA-N
Molecular Formula C9H7NO6
3,644

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

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
3,645

5-Chloro-2-methoxybenzaldehyde, 97%

CAS: 7035-09-8 MDL Number: MFCD00033854

CAS 7035-09-8
MDL Number MFCD00033854