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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 (103)
Phenols (32)
Naphthalenes (16)
Phenol esters (2)
Thiophenols (2)
Unsubstituted Phenols (1)

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1 – 15 of 142 results
1

3-Chlorobenzyl Cyanide 98.0+%, TCI America™

CAS: 1529-41-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00001908 InChI Key: GTIKLPYCSAMPNG-UHFFFAOYSA-N Synonym: 3-chlorobenzyl cyanide,3-chlorophenyl acetonitrile,2-3-chlorophenyl acetonitrile,3-chlorophenylacetonitrile,3-chlorobenzeneacetonitrile,m-chlorobenzyl cyanide,acetonitrile, m-chlorophenyl,benzeneacetonitrile, 3-chloro,m-chlorophenyl acetonitrile,2-3-chlorophenyl ethanenitrile PubChem CID: 73722 IUPAC Name: 2-(3-chlorophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)Cl)CC#N

PubChem CID 73722
CAS 1529-41-5
Molecular Weight (g/mol) 151.593
MDL Number MFCD00001908
SMILES C1=CC(=CC(=C1)Cl)CC#N
Synonym 3-chlorobenzyl cyanide,3-chlorophenyl acetonitrile,2-3-chlorophenyl acetonitrile,3-chlorophenylacetonitrile,3-chlorobenzeneacetonitrile,m-chlorobenzyl cyanide,acetonitrile, m-chlorophenyl,benzeneacetonitrile, 3-chloro,m-chlorophenyl acetonitrile,2-3-chlorophenyl ethanenitrile
IUPAC Name 2-(3-chlorophenyl)acetonitrile
InChI Key GTIKLPYCSAMPNG-UHFFFAOYSA-N
Molecular Formula C8H6ClN
2

Trimethyl(phenoxy)silane 97.0+%, TCI America™

CAS: 1529-17-5 Molecular Formula: C9H14OSi Molecular Weight (g/mol): 166.30 MDL Number: MFCD00053666 InChI Key: OJAJJFGMKAZGRZ-UHFFFAOYSA-N Synonym: trimethyl phenoxy silane,phenoxytrimethylsilane,silane, trimethylphenoxy,phenyl trimethylsilyl ether,trimethylsilylphenoxide,trimethylsiloxy benzene,phenol, tms ether,phenol trimethylsilyl ether,benzene, trimethylsilyl oxy PubChem CID: 73720 IUPAC Name: trimethyl(phenoxy)silane SMILES: C[Si](C)(C)OC1=CC=CC=C1

PubChem CID 73720
CAS 1529-17-5
Molecular Weight (g/mol) 166.30
MDL Number MFCD00053666
SMILES C[Si](C)(C)OC1=CC=CC=C1
Synonym trimethyl phenoxy silane,phenoxytrimethylsilane,silane, trimethylphenoxy,phenyl trimethylsilyl ether,trimethylsilylphenoxide,trimethylsiloxy benzene,phenol, tms ether,phenol trimethylsilyl ether,benzene, trimethylsilyl oxy
IUPAC Name trimethyl(phenoxy)silane
InChI Key OJAJJFGMKAZGRZ-UHFFFAOYSA-N
Molecular Formula C9H14OSi
3

2,4-Difluorobenzenethiol 97.0+%, TCI America™

CAS: 1996-44-7 Molecular Formula: C6H4F2S Molecular Weight (g/mol): 146.155 InChI Key: BICHBFCGCJNCAT-UHFFFAOYSA-N Synonym: 2,4-difluorothiophenol,2,4-difluorobenzene-1-thiol,2,4-difluoro thiophenol,benzenethiol, 2,4-difluoro,2,4-difluorothiophenol technical,2,4-difluorobenzenet,pubchem2875,acmc-1bpsf,2,4-difluoro-benzenethiol PubChem CID: 2737073 IUPAC Name: 2,4-difluorobenzenethiol SMILES: C1=CC(=C(C=C1F)F)S

PubChem CID 2737073
CAS 1996-44-7
Molecular Weight (g/mol) 146.155
SMILES C1=CC(=C(C=C1F)F)S
Synonym 2,4-difluorothiophenol,2,4-difluorobenzene-1-thiol,2,4-difluoro thiophenol,benzenethiol, 2,4-difluoro,2,4-difluorothiophenol technical,2,4-difluorobenzenet,pubchem2875,acmc-1bpsf,2,4-difluoro-benzenethiol
IUPAC Name 2,4-difluorobenzenethiol
InChI Key BICHBFCGCJNCAT-UHFFFAOYSA-N
Molecular Formula C6H4F2S
4

3,5-Bis(trifluoromethyl)styrene, 96%, stab.

CAS: 349-59-7 Molecular Formula: C10H6F6 Molecular Weight (g/mol): 240.15 MDL Number: MFCD00075538 InChI Key: LFICVUCVPKKPFF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab. PubChem CID: 2773242 IUPAC Name: 1-ethenyl-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F

PubChem CID 2773242
CAS 349-59-7
Molecular Weight (g/mol) 240.15
MDL Number MFCD00075538
SMILES FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F
Synonym 3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab.
IUPAC Name 1-ethenyl-3,5-bis(trifluoromethyl)benzene
InChI Key LFICVUCVPKKPFF-UHFFFAOYSA-N
Molecular Formula C10H6F6
5

2,5-Dibromotoluene 98.0+%, TCI America™

CAS: 615-59-8 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000090 InChI Key: QKEZTJYRBHOKHH-UHFFFAOYSA-N Synonym: 2,5-dibromotoluene,benzene, 1,4-dibromo-2-methyl,toluene, 2,5-dibromo,2,5-dibromo toluene,3,6-dibromotoluene,1,4-dibromo-2-methyl-benzene,pubchem3922,acmc-209mu2,chemwish ic06904 PubChem CID: 12006 IUPAC Name: 1,4-dibromo-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)Br

PubChem CID 12006
CAS 615-59-8
Molecular Weight (g/mol) 249.933
MDL Number MFCD00000090
SMILES CC1=C(C=CC(=C1)Br)Br
Synonym 2,5-dibromotoluene,benzene, 1,4-dibromo-2-methyl,toluene, 2,5-dibromo,2,5-dibromo toluene,3,6-dibromotoluene,1,4-dibromo-2-methyl-benzene,pubchem3922,acmc-209mu2,chemwish ic06904
IUPAC Name 1,4-dibromo-2-methylbenzene
InChI Key QKEZTJYRBHOKHH-UHFFFAOYSA-N
Molecular Formula C7H6Br2
6

2,5-Dichlorofluorobenzene 98.0+%, TCI America™

CAS: 348-59-4 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.99 MDL Number: MFCD00060656 InChI Key: BJQTYCQGIXZSNM-UHFFFAOYSA-N Synonym: 2,5-dichlorofluorobenzene,benzene, 1,4-dichloro-2-fluoro,1,4-dichloro-2-fluoro-benzene,2,5-dichloro-1-fluorobenzene,1,4-dichlor-2-fluorbenzol,2,5-dichloro-fluorobenzene,pubchem3454,acmc-1ae1b,2,5-dichloro fluorobenzene,1-fluor-2,5-dichlorbenzol PubChem CID: 136173 IUPAC Name: 1,4-dichloro-2-fluorobenzene SMILES: FC1=CC(Cl)=CC=C1Cl

PubChem CID 136173
CAS 348-59-4
Molecular Weight (g/mol) 164.99
MDL Number MFCD00060656
SMILES FC1=CC(Cl)=CC=C1Cl
Synonym 2,5-dichlorofluorobenzene,benzene, 1,4-dichloro-2-fluoro,1,4-dichloro-2-fluoro-benzene,2,5-dichloro-1-fluorobenzene,1,4-dichlor-2-fluorbenzol,2,5-dichloro-fluorobenzene,pubchem3454,acmc-1ae1b,2,5-dichloro fluorobenzene,1-fluor-2,5-dichlorbenzol
IUPAC Name 1,4-dichloro-2-fluorobenzene
InChI Key BJQTYCQGIXZSNM-UHFFFAOYSA-N
Molecular Formula C6H3Cl2F
7

2-Amino-5-chlorobenzophenone 98.0+%, TCI America™

CAS: 719-59-5 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00007839 InChI Key: ZUWXHHBROGLWNH-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone PubChem CID: 12870 IUPAC Name: 2-benzoyl-4-chloroaniline SMILES: NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1

PubChem CID 12870
CAS 719-59-5
Molecular Weight (g/mol) 231.68
MDL Number MFCD00007839
SMILES NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
Synonym 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone
IUPAC Name 2-benzoyl-4-chloroaniline
InChI Key ZUWXHHBROGLWNH-UHFFFAOYSA-N
Molecular Formula C13H10ClNO
8

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

CAS: 90050-59-2 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD05662390 InChI Key: YILPAIKZHXATHY-UHFFFAOYSA-N PubChem CID: 10420289 IUPAC Name: 5-bromo-2-methylbenzaldehyde SMILES: CC1=C(C=C(C=C1)Br)C=O

PubChem CID 10420289
CAS 90050-59-2
Molecular Weight (g/mol) 199.047
MDL Number MFCD05662390
SMILES CC1=C(C=C(C=C1)Br)C=O
IUPAC Name 5-bromo-2-methylbenzaldehyde
InChI Key YILPAIKZHXATHY-UHFFFAOYSA-N
Molecular Formula C8H7BrO
9

1,3,5-Benzenetrithiol 98.0+%, TCI America™

CAS: 38004-59-0 Molecular Formula: C6H6S3 Molecular Weight (g/mol): 174.29 MDL Number: MFCD08276292 InChI Key: KXCKKUIJCYNZAE-UHFFFAOYSA-N Synonym: 1,3,5-Trimercaptobenzene PubChem CID: 10154267 IUPAC Name: benzene-1,3,5-trithiol SMILES: SC1=CC(S)=CC(S)=C1

PubChem CID 10154267
CAS 38004-59-0
Molecular Weight (g/mol) 174.29
MDL Number MFCD08276292
SMILES SC1=CC(S)=CC(S)=C1
Synonym 1,3,5-Trimercaptobenzene
IUPAC Name benzene-1,3,5-trithiol
InChI Key KXCKKUIJCYNZAE-UHFFFAOYSA-N
Molecular Formula C6H6S3
10

1-Bromo-3-hexylbenzene 98.0+%, TCI America™

CAS: 38409-59-5 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.172 MDL Number: MFCD09909567 InChI Key: HZUVRCRPECDFAT-UHFFFAOYSA-N Synonym: 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl PubChem CID: 563022 IUPAC Name: 1-bromo-3-hexylbenzene SMILES: CCCCCCC1=CC(=CC=C1)Br

PubChem CID 563022
CAS 38409-59-5
Molecular Weight (g/mol) 241.172
MDL Number MFCD09909567
SMILES CCCCCCC1=CC(=CC=C1)Br
Synonym 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl
IUPAC Name 1-bromo-3-hexylbenzene
InChI Key HZUVRCRPECDFAT-UHFFFAOYSA-N
Molecular Formula C12H17Br
11

2,6-Difluorophenol, 98%

CAS: 28177-48-2 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.1 MDL Number: MFCD00002158 InChI Key: CKKOVFGIBXCEIJ-UHFFFAOYSA-N Synonym: phenol, 2,6-difluoro,2.6-difluorophenol,2,6-difluoro-phenol,2,6-difluorophenol,2,6-difluoro phenol,pubchem1495,ksc493c1n,ckkovfgibxceij-uhfffaoysa PubChem CID: 94392 IUPAC Name: 2,6-difluorophenol SMILES: C1=CC(=C(C(=C1)F)O)F

PubChem CID 94392
CAS 28177-48-2
Molecular Weight (g/mol) 130.1
MDL Number MFCD00002158
SMILES C1=CC(=C(C(=C1)F)O)F
Synonym phenol, 2,6-difluoro,2.6-difluorophenol,2,6-difluoro-phenol,2,6-difluorophenol,2,6-difluoro phenol,pubchem1495,ksc493c1n,ckkovfgibxceij-uhfffaoysa
IUPAC Name 2,6-difluorophenol
InChI Key CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Molecular Formula C6H4F2O
12

Phenyl Methanesulfonate 98.0+%, TCI America™

CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1

PubChem CID 316170
CAS 16156-59-5
Molecular Weight (g/mol) 172.20
MDL Number MFCD00095143
SMILES CS(=O)(=O)OC1=CC=CC=C1
Synonym phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester
IUPAC Name phenyl methanesulfonate
InChI Key WXVUCMFEGJUVTN-UHFFFAOYSA-N
Molecular Formula C7H8O3S
13

4-Methyl-3-nitrobenzyl Alcohol 96.0+%, TCI America™

CAS: 40870-59-5 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007177 InChI Key: URCWIFSXDARYLY-UHFFFAOYSA-N PubChem CID: 123497 IUPAC Name: (4-methyl-3-nitrophenyl)methanol SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]

PubChem CID 123497
CAS 40870-59-5
Molecular Weight (g/mol) 167.164
MDL Number MFCD00007177
SMILES CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
IUPAC Name (4-methyl-3-nitrophenyl)methanol
InChI Key URCWIFSXDARYLY-UHFFFAOYSA-N
Molecular Formula C8H9NO3
14

2-Ethylphenyl Acetate 97.0+%, TCI America™

CAS: 3056-59-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD02093429 InChI Key: VERVERDPMMBDSS-UHFFFAOYSA-N Synonym: Acetic Acid 2-Ethylphenyl Ester PubChem CID: 9898919 IUPAC Name: (2-ethylphenyl) acetate SMILES: CCC1=CC=CC=C1OC(=O)C

PubChem CID 9898919
CAS 3056-59-5
Molecular Weight (g/mol) 164.204
MDL Number MFCD02093429
SMILES CCC1=CC=CC=C1OC(=O)C
Synonym Acetic Acid 2-Ethylphenyl Ester
IUPAC Name (2-ethylphenyl) acetate
InChI Key VERVERDPMMBDSS-UHFFFAOYSA-N
Molecular Formula C10H12O2
15

1-Bromo-2-chloro-4-fluorobenzene 98.0+%, TCI America™

CAS: 110407-59-5 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00142587 InChI Key: LEFQPBAWVJEIJS-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f PubChem CID: 2733406 IUPAC Name: 1-bromo-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)Br

PubChem CID 2733406
CAS 110407-59-5
Molecular Weight (g/mol) 209.442
MDL Number MFCD00142587
SMILES C1=CC(=C(C=C1F)Cl)Br
Synonym 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f
IUPAC Name 1-bromo-2-chloro-4-fluorobenzene
InChI Key LEFQPBAWVJEIJS-UHFFFAOYSA-N
Molecular Formula C6H3BrClF