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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 (64,928)
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Naphthalenes (4,958)
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Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (428)
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Ellagic acids and derivatives (33)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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3,901 – 3,915 of 73,817 results
3,901

(3-Thien-3-ylphenyl)methylamine, 97%, Thermo Scientific™

CAS: 138139-99-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08690276 InChI Key: GBUXQFDNGWGBJH-UHFFFAOYSA-N Synonym: 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine PubChem CID: 19916941 IUPAC Name: (3-thiophen-3-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CSC=C2

PubChem CID 19916941
CAS 138139-99-8
Molecular Weight (g/mol) 189.276
MDL Number MFCD08690276
SMILES C1=CC(=CC(=C1)CN)C2=CSC=C2
Synonym 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine
IUPAC Name (3-thiophen-3-ylphenyl)methanamine
InChI Key GBUXQFDNGWGBJH-UHFFFAOYSA-N
Molecular Formula C11H11NS
3,902

N-Methyl-2-(phenoxymethyl)benzylamine, 97%, Thermo Scientific™

CAS: 892502-17-9 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.307 MDL Number: MFCD09025894 InChI Key: WFUPXVCKIKJBIM-UHFFFAOYSA-N Synonym: n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl PubChem CID: 18525895 IUPAC Name: N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1COC2=CC=CC=C2

PubChem CID 18525895
CAS 892502-17-9
Molecular Weight (g/mol) 227.307
MDL Number MFCD09025894
SMILES CNCC1=CC=CC=C1COC2=CC=CC=C2
Synonym n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl
IUPAC Name N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine
InChI Key WFUPXVCKIKJBIM-UHFFFAOYSA-N
Molecular Formula C15H17NO
3,903

3-Bromophenol, 98%

CAS: 591-20-8 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.01 MDL Number: MFCD00002253 InChI Key: MNOJRWOWILAHAV-UHFFFAOYSA-N Synonym: m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol PubChem CID: 11563 IUPAC Name: 3-bromophenol SMILES: OC1=CC=CC(Br)=C1

PubChem CID 11563
CAS 591-20-8
Molecular Weight (g/mol) 173.01
MDL Number MFCD00002253
SMILES OC1=CC=CC(Br)=C1
Synonym m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol
IUPAC Name 3-bromophenol
InChI Key MNOJRWOWILAHAV-UHFFFAOYSA-N
Molecular Formula C6H5BrO
3,904

2-(Trifluoromethyl)benzonitrile, 97%

CAS: 447-60-9 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001791 InChI Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile PubChem CID: 67972 IUPAC Name: 2-(trifluoromethyl)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F

PubChem CID 67972
CAS 447-60-9
Molecular Weight (g/mol) 171.122
MDL Number MFCD00001791
SMILES C1=CC=C(C(=C1)C#N)C(F)(F)F
Synonym 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile
IUPAC Name 2-(trifluoromethyl)benzonitrile
InChI Key SOZGHDCEWOLLHV-UHFFFAOYSA-N
Molecular Formula C8H4F3N
3,905

4-n-Hexylbenzoic acid, 99%

CAS: 21643-38-9 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00013997 InChI Key: CPEPWESLFZVUEP-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p PubChem CID: 30725 IUPAC Name: 4-hexylbenzoic acid SMILES: CCCCCCC1=CC=C(C=C1)C(=O)O

PubChem CID 30725
CAS 21643-38-9
Molecular Weight (g/mol) 206.285
MDL Number MFCD00013997
SMILES CCCCCCC1=CC=C(C=C1)C(=O)O
Synonym benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p
IUPAC Name 4-hexylbenzoic acid
InChI Key CPEPWESLFZVUEP-UHFFFAOYSA-N
Molecular Formula C13H18O2
3,906

4,4'-Dimethylbenzophenone, 98+%

CAS: 611-97-2 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00017214 InChI Key: ZWPWLKXZYNXATK-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone PubChem CID: 69148 IUPAC Name: bis(4-methylphenyl)methanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C

PubChem CID 69148
CAS 611-97-2
Molecular Weight (g/mol) 210.276
MDL Number MFCD00017214
SMILES CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
Synonym 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone
IUPAC Name bis(4-methylphenyl)methanone
InChI Key ZWPWLKXZYNXATK-UHFFFAOYSA-N
Molecular Formula C15H14O
3,907

4-Cyanobenzaldehyde, 98+%

CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N

PubChem CID 66042
CAS 105-07-7
Molecular Weight (g/mol) 131.13
MDL Number MFCD00003376
SMILES O=CC1=CC=C(C=C1)C#N
Synonym 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile
IUPAC Name 4-formylbenzonitrile
InChI Key WZWIQYMTQZCSKI-UHFFFAOYSA-N
Molecular Formula C8H5NO
3,908

4-Benzyloxybenzoic acid, 98%

CAS: 1486-51-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016527 InChI Key: AQSCHALQLXXKKC-UHFFFAOYSA-N PubChem CID: 73880 IUPAC Name: 4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

PubChem CID 73880
CAS 1486-51-7
Molecular Weight (g/mol) 228.25
MDL Number MFCD00016527
SMILES OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
IUPAC Name 4-phenylmethoxybenzoic acid
InChI Key AQSCHALQLXXKKC-UHFFFAOYSA-N
Molecular Formula C14H12O3
3,909

4-Chloro-2-fluorobenzaldehyde, 98%

CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O

PubChem CID 2724908
CAS 61072-56-8
Molecular Weight (g/mol) 158.556
MDL Number MFCD00143282
SMILES C1=CC(=C(C=C1Cl)F)C=O
Synonym 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985
IUPAC Name 4-chloro-2-fluorobenzaldehyde
InChI Key UVGYSEIWAOOIJR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
3,910

3,4-Difluorophenylacetic acid, 98%, Thermo Scientific Chemicals

CAS: 658-93-5 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010002 InChI Key: YCAKYFIYUHHCKW-UHFFFAOYSA-N Synonym: 3,4-difluorophenylacetic acid,2-3,4-difluorophenyl acetic acid,3,4-difluorophenyl acetic acid,benzeneacetic acid, 3,4-difluoro,3,4-difluorobenzeneacetic acid,3,4-difluorophenylaceticacid,pubchem4154,acmc-209nst,ksc355a2l,rarechem al bo 0250 PubChem CID: 69571 IUPAC Name: 2-(3,4-difluorophenyl)acetic acid SMILES: C1=CC(=C(C=C1CC(=O)O)F)F

PubChem CID 69571
CAS 658-93-5
Molecular Weight (g/mol) 172.131
MDL Number MFCD00010002
SMILES C1=CC(=C(C=C1CC(=O)O)F)F
Synonym 3,4-difluorophenylacetic acid,2-3,4-difluorophenyl acetic acid,3,4-difluorophenyl acetic acid,benzeneacetic acid, 3,4-difluoro,3,4-difluorobenzeneacetic acid,3,4-difluorophenylaceticacid,pubchem4154,acmc-209nst,ksc355a2l,rarechem al bo 0250
IUPAC Name 2-(3,4-difluorophenyl)acetic acid
InChI Key YCAKYFIYUHHCKW-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
3,911

3,5-Di-tert-butyl-4-hydroxybenzoic acid, 98%

CAS: 1421-49-4 Molecular Formula: C30H42NiO6 Molecular Weight (g/mol): 557.35 MDL Number: MFCD00008827 InChI Key: VIUVLVWUWLHYGT-UHFFFAOYSA-L Synonym: 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681 PubChem CID: 15007 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoic acid SMILES: [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O

PubChem CID 15007
CAS 1421-49-4
Molecular Weight (g/mol) 557.35
MDL Number MFCD00008827
SMILES [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O
Synonym 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681
IUPAC Name 3,5-ditert-butyl-4-hydroxybenzoic acid
InChI Key VIUVLVWUWLHYGT-UHFFFAOYSA-L
Molecular Formula C30H42NiO6
3,912

2,2-Diphenylpropionitrile, 97%

CAS: 5558-67-8 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00001846 InChI Key: DPVHBXFSKLKYIQ-UHFFFAOYSA-N PubChem CID: 79677 IUPAC Name: 2,2-diphenylpropanenitrile SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 79677
CAS 5558-67-8
Molecular Weight (g/mol) 207.276
MDL Number MFCD00001846
SMILES CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
IUPAC Name 2,2-diphenylpropanenitrile
InChI Key DPVHBXFSKLKYIQ-UHFFFAOYSA-N
Molecular Formula C15H13N
3,913

3-Fluorobenzoic acid, 99%

CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1

PubChem CID 9968
CAS 455-38-9
Molecular Weight (g/mol) 140.11
ChEBI CHEBI:20021
MDL Number MFCD00002489
SMILES OC(=O)C1=CC=CC(F)=C1
Synonym m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192
IUPAC Name 3-fluorobenzoic acid
InChI Key MXNBDFWNYRNIBH-UHFFFAOYSA-N
Molecular Formula C7H5FO2
3,914

4-Bromostyrene, 98%, stab. with 0.1% 4-tert-butylcatechol

CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1

PubChem CID 16263
CAS 2039-82-9
Molecular Weight (g/mol) 183.05
MDL Number MFCD00000110
SMILES BrC1=CC=C(C=C)C=C1
Synonym 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu
IUPAC Name 1-bromo-4-ethenylbenzene
InChI Key WGGLDBIZIQMEGH-UHFFFAOYSA-N
Molecular Formula C8H7Br
3,915

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 616602
CAS 328-80-3
Molecular Weight (g/mol) 235.118
MDL Number MFCD00024509
SMILES C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4