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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 (174)
Phenols (16)
Naphthalenes (14)
Fluorenes (7)
Phenanthrenes and derivatives (2)
Indanes (1)
Tetralins (1)
Thiophenols (1)
Unsubstituted Phenols (1)

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1 – 15 of 193 results
1

2-(3-Bromophenyl)triphenylene 98.0+%, TCI America™

CAS: 1313514-53-2 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: KWXFBIBEVROWEF-UHFFFAOYSA-N PubChem CID: 58472032 IUPAC Name: 2-(3-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25

PubChem CID 58472032
CAS 1313514-53-2
Molecular Weight (g/mol) 383.288
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25
IUPAC Name 2-(3-bromophenyl)triphenylene
InChI Key KWXFBIBEVROWEF-UHFFFAOYSA-N
Molecular Formula C24H15Br
2

1,2-Dibromobenzene 97.0+%, TCI America™

CAS: 583-53-9 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000057 InChI Key: WQONPSCCEXUXTQ-UHFFFAOYSA-N Synonym: o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene PubChem CID: 11414 ChEBI: CHEBI:37152 IUPAC Name: 1,2-dibromobenzene SMILES: C1=CC=C(C(=C1)Br)Br

PubChem CID 11414
CAS 583-53-9
Molecular Weight (g/mol) 235.906
ChEBI CHEBI:37152
MDL Number MFCD00000057
SMILES C1=CC=C(C(=C1)Br)Br
Synonym o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene
IUPAC Name 1,2-dibromobenzene
InChI Key WQONPSCCEXUXTQ-UHFFFAOYSA-N
Molecular Formula C6H4Br2
3

2,7-Dinitrofluorene 97.0+%, TCI America™

CAS: 5405-53-8 Molecular Formula: C13H8N2O4 Molecular Weight (g/mol): 256.217 MDL Number: MFCD00001121 InChI Key: IHZCVUBSTYOFSJ-UHFFFAOYSA-N PubChem CID: 21502 IUPAC Name: 2,7-dinitro-9H-fluorene SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-]

PubChem CID 21502
CAS 5405-53-8
Molecular Weight (g/mol) 256.217
MDL Number MFCD00001121
SMILES C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-]
IUPAC Name 2,7-dinitro-9H-fluorene
InChI Key IHZCVUBSTYOFSJ-UHFFFAOYSA-N
Molecular Formula C13H8N2O4
4

2-Phenylpropionaldehyde 95.0+%, TCI America™

CAS: 93-53-8 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006973 InChI Key: IQVAERDLDAZARL-UHFFFAOYSA-N Synonym: 2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy PubChem CID: 7146 IUPAC Name: 2-phenylpropanal SMILES: CC(C=O)C1=CC=CC=C1

PubChem CID 7146
CAS 93-53-8
Molecular Weight (g/mol) 134.178
MDL Number MFCD00006973
SMILES CC(C=O)C1=CC=CC=C1
Synonym 2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy
IUPAC Name 2-phenylpropanal
InChI Key IQVAERDLDAZARL-UHFFFAOYSA-N
Molecular Formula C9H10O
5

5-Fluoro-2-methylbenzaldehyde 95.0+%, TCI America™

CAS: 22062-53-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD02261763 InChI Key: MBOXPKNOGZJXPK-UHFFFAOYSA-N Synonym: 5-fluoro-2-methyl-benzaldehyde,benzaldehyde, 5-fluoro-2-methyl,zlchem 996,pubchem1458,acmc-209fri,ksc494k1f,2-methyl-5-fluorobenzaldehyde,5-fluoro-2-methylbenzaldehyde PubChem CID: 2759012 IUPAC Name: 5-fluoro-2-methylbenzaldehyde SMILES: CC1=C(C=C(C=C1)F)C=O

PubChem CID 2759012
CAS 22062-53-9
Molecular Weight (g/mol) 138.141
MDL Number MFCD02261763
SMILES CC1=C(C=C(C=C1)F)C=O
Synonym 5-fluoro-2-methyl-benzaldehyde,benzaldehyde, 5-fluoro-2-methyl,zlchem 996,pubchem1458,acmc-209fri,ksc494k1f,2-methyl-5-fluorobenzaldehyde,5-fluoro-2-methylbenzaldehyde
IUPAC Name 5-fluoro-2-methylbenzaldehyde
InChI Key MBOXPKNOGZJXPK-UHFFFAOYSA-N
Molecular Formula C8H7FO
6

2-Nitroso-1-naphthol 98.0+%, TCI America™

CAS: 132-53-6 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00003932 InChI Key: SYUYTOYKQOAVDW-UHFFFAOYSA-N Synonym: 2-nitroso-1-naphthol,2-nitrosonaphthol,1-naphthalenol, 2-nitroso,1-naphthol, 2-nitroso,1,2-naphthoquinone 2-oxime,nitrosonaphthol,.beta.-nitrosonaphthol,unii-cc0s5ho41v,beta-nitroso-alpha-naphthol,1,2-naphthalenedione, 2-oxime PubChem CID: 8592 IUPAC Name: 2-nitrosonaphthalen-1-ol SMILES: OC1=C2C=CC=CC2=CC=C1N=O

PubChem CID 8592
CAS 132-53-6
Molecular Weight (g/mol) 173.17
MDL Number MFCD00003932
SMILES OC1=C2C=CC=CC2=CC=C1N=O
Synonym 2-nitroso-1-naphthol,2-nitrosonaphthol,1-naphthalenol, 2-nitroso,1-naphthol, 2-nitroso,1,2-naphthoquinone 2-oxime,nitrosonaphthol,.beta.-nitrosonaphthol,unii-cc0s5ho41v,beta-nitroso-alpha-naphthol,1,2-naphthalenedione, 2-oxime
IUPAC Name 2-nitrosonaphthalen-1-ol
InChI Key SYUYTOYKQOAVDW-UHFFFAOYSA-N
Molecular Formula C10H7NO2
7

1,2,3-Trifluorobenzene 98.0+%, TCI America™

CAS: 1489-53-8 Molecular Formula: C6H3F3 Molecular Weight (g/mol): 132.085 MDL Number: MFCD00012013 InChI Key: AJKNNUJQFALRIK-UHFFFAOYSA-N Synonym: trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene PubChem CID: 15147 IUPAC Name: 1,2,3-trifluorobenzene SMILES: C1=CC(=C(C(=C1)F)F)F

PubChem CID 15147
CAS 1489-53-8
Molecular Weight (g/mol) 132.085
MDL Number MFCD00012013
SMILES C1=CC(=C(C(=C1)F)F)F
Synonym trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene
IUPAC Name 1,2,3-trifluorobenzene
InChI Key AJKNNUJQFALRIK-UHFFFAOYSA-N
Molecular Formula C6H3F3
8

2,2'-Dihydroxy-4-methoxybenzophenone 98.0+%, TCI America™

CAS: 131-53-3 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD00002218 InChI Key: MEZZCSHVIGVWFI-UHFFFAOYSA-N Synonym: dioxybenzone,2,2'-dihydroxy-4-methoxybenzophenone,dioxybenzon,benzophenone-8,advastab 47,cyasorb uv 24,spectra-sorb uv 24,2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl methanone,methanone, 2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl,cyasorb uv 24 light absorber PubChem CID: 8569 ChEBI: CHEBI:34208 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

PubChem CID 8569
CAS 131-53-3
Molecular Weight (g/mol) 244.246
ChEBI CHEBI:34208
MDL Number MFCD00002218
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
Synonym dioxybenzone,2,2'-dihydroxy-4-methoxybenzophenone,dioxybenzon,benzophenone-8,advastab 47,cyasorb uv 24,spectra-sorb uv 24,2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl methanone,methanone, 2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl,cyasorb uv 24 light absorber
IUPAC Name (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
InChI Key MEZZCSHVIGVWFI-UHFFFAOYSA-N
Molecular Formula C14H12O4
9

2-Acetamidofluorene 98.0+%, TCI America™

CAS: 53-96-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00001116 InChI Key: CZIHNRWJTSTCEX-UHFFFAOYSA-N Synonym: 2-acetamidofluorene,2-acetylaminofluorene,n-2-fluorenylacetamide,2-aaf,n-9h-fluoren-2-yl acetamide,acetamide, n-9h-fluoren-2-yl,n-fluoren-2-ylacetamide,n-acetyl-2-aminofluorene,2-acetaminofluorene,2-acetylamino fluorene PubChem CID: 5897 ChEBI: CHEBI:17356 IUPAC Name: N-(9H-fluoren-2-yl)acetamide SMILES: CC(=O)NC1=CC=C2C(CC3=CC=CC=C23)=C1

PubChem CID 5897
CAS 53-96-3
Molecular Weight (g/mol) 223.28
ChEBI CHEBI:17356
MDL Number MFCD00001116
SMILES CC(=O)NC1=CC=C2C(CC3=CC=CC=C23)=C1
Synonym 2-acetamidofluorene,2-acetylaminofluorene,n-2-fluorenylacetamide,2-aaf,n-9h-fluoren-2-yl acetamide,acetamide, n-9h-fluoren-2-yl,n-fluoren-2-ylacetamide,n-acetyl-2-aminofluorene,2-acetaminofluorene,2-acetylamino fluorene
IUPAC Name N-(9H-fluoren-2-yl)acetamide
InChI Key CZIHNRWJTSTCEX-UHFFFAOYSA-N
Molecular Formula C15H13NO
10

4-Chloro-2,5-dimethoxynitrobenzene 98.0+%, TCI America™

CAS: 6940-53-0 Molecular Formula: C8H8ClNO4 Molecular Weight (g/mol): 217.605 MDL Number: MFCD00024577 InChI Key: ORLPGMKKCAEWOW-UHFFFAOYSA-N PubChem CID: 81362 IUPAC Name: 1-chloro-2,5-dimethoxy-4-nitrobenzene SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl

PubChem CID 81362
CAS 6940-53-0
Molecular Weight (g/mol) 217.605
MDL Number MFCD00024577
SMILES COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl
IUPAC Name 1-chloro-2,5-dimethoxy-4-nitrobenzene
InChI Key ORLPGMKKCAEWOW-UHFFFAOYSA-N
Molecular Formula C8H8ClNO4
11

2,4-Dibromo-1-fluorobenzene 97.0+%, TCI America™

CAS: 1435-53-6 Molecular Formula: C6H3Br2F Molecular Weight (g/mol): 253.90 MDL Number: MFCD00000283 InChI Key: MKHDDTWHDFVYDQ-UHFFFAOYSA-N Synonym: 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j PubChem CID: 15034 IUPAC Name: 2,4-dibromo-1-fluorobenzene SMILES: FC1=CC=C(Br)C=C1Br

PubChem CID 15034
CAS 1435-53-6
Molecular Weight (g/mol) 253.90
MDL Number MFCD00000283
SMILES FC1=CC=C(Br)C=C1Br
Synonym 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j
IUPAC Name 2,4-dibromo-1-fluorobenzene
InChI Key MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Molecular Formula C6H3Br2F
12

4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™

CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl

PubChem CID 2780719
CAS 32333-53-2
Molecular Weight (g/mol) 279.054
MDL Number MFCD00024882
SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori
IUPAC Name 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
InChI Key SSULGNXFUGLULI-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F3O2S
13

2-(Methylthio)aniline 97.0+%, TCI America™

CAS: 2987-53-3 Molecular Formula: C7H9NS Molecular Weight (g/mol): 139.216 MDL Number: MFCD00007708 InChI Key: WBRPQQSADOCKCH-UHFFFAOYSA-N Synonym: 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline PubChem CID: 76337 IUPAC Name: 2-methylsulfanylaniline SMILES: CSC1=CC=CC=C1N

PubChem CID 76337
CAS 2987-53-3
Molecular Weight (g/mol) 139.216
MDL Number MFCD00007708
SMILES CSC1=CC=CC=C1N
Synonym 2-methylthio aniline,2-aminothioanisole,2-methylsulfanyl aniline,2-methylmercaptoaniline,2-methylmercapto aniline,o-thioanisidine,o-aminothioanisole,2-amino thioanisole,benzenamine, 2-methylthio,o-methylthio aniline
IUPAC Name 2-methylsulfanylaniline
InChI Key WBRPQQSADOCKCH-UHFFFAOYSA-N
Molecular Formula C7H9NS
14

Eugenol 99.0+%, TCI America™

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O

PubChem CID 3314
CAS 97-53-0
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:4917
MDL Number MFCD00008654
SMILES COC1=CC(CC=C)=CC=C1O
Synonym eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
IUPAC Name 2-methoxy-4-(prop-2-en-1-yl)phenol
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula C10H12O2
15

2-Cyano-4'-methylbiphenyl 99.0+%, TCI America™

CAS: 114772-53-1 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00151805 InChI Key: ZGQVZLSNEBEHFN-UHFFFAOYSA-N Synonym: 2-cyano-4'-methylbiphenyl,4'-methyl-2-cyanobiphenyl,4'-methylbiphenyl-2-carbonitrile,2'-cyano-4-methylbiphenyl,2-p-tolyl benzonitrile,2-4-methylphenyl benzonitrile,2-cyano-4'-methyl biphenyl,4'-methyl-1,1'-biphenyl-2-carbonitrile,unii-o417ti15ta,4'-methyl-2-cyano diphenyl PubChem CID: 145512 IUPAC Name: 4'-methyl-[1,1'-biphenyl]-2-carbonitrile SMILES: CC1=CC=C(C=C1)C1=CC=CC=C1C#N

PubChem CID 145512
CAS 114772-53-1
Molecular Weight (g/mol) 193.25
MDL Number MFCD00151805
SMILES CC1=CC=C(C=C1)C1=CC=CC=C1C#N
Synonym 2-cyano-4'-methylbiphenyl,4'-methyl-2-cyanobiphenyl,4'-methylbiphenyl-2-carbonitrile,2'-cyano-4-methylbiphenyl,2-p-tolyl benzonitrile,2-4-methylphenyl benzonitrile,2-cyano-4'-methyl biphenyl,4'-methyl-1,1'-biphenyl-2-carbonitrile,unii-o417ti15ta,4'-methyl-2-cyano diphenyl
IUPAC Name 4'-methyl-[1,1'-biphenyl]-2-carbonitrile
InChI Key ZGQVZLSNEBEHFN-UHFFFAOYSA-N
Molecular Formula C14H11N