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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 (119)
Phenols (26)
Naphthalenes (13)
Anthracenes (1)

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1 – 15 of 139 results
1

2-Fluoro-6-nitrophenol 98.0+%, TCI America™

CAS: 1526-17-6 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.10 MDL Number: MFCD00042446 InChI Key: HIGRXCJEFUYRNW-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrophenol,6-fluoro-2-nitrophenol,phenol, 2-fluoro-6-nitro,2-nitro-6-fluorophenol,2-fluoro-6-nitro-phenol,3-fluoro-2-hydroxynitrobenzene,fluoro-6-nitrophenol, 2,2-fluoro-6-nitrophen,pubchem10654,2-fluor-6-nitrophenol PubChem CID: 73710 IUPAC Name: 2-fluoro-6-nitrophenol SMILES: OC1=C(F)C=CC=C1[N+]([O-])=O

PubChem CID 73710
CAS 1526-17-6
Molecular Weight (g/mol) 157.10
MDL Number MFCD00042446
SMILES OC1=C(F)C=CC=C1[N+]([O-])=O
Synonym 2-fluoro-6-nitrophenol,6-fluoro-2-nitrophenol,phenol, 2-fluoro-6-nitro,2-nitro-6-fluorophenol,2-fluoro-6-nitro-phenol,3-fluoro-2-hydroxynitrobenzene,fluoro-6-nitrophenol, 2,2-fluoro-6-nitrophen,pubchem10654,2-fluor-6-nitrophenol
IUPAC Name 2-fluoro-6-nitrophenol
InChI Key HIGRXCJEFUYRNW-UHFFFAOYSA-N
Molecular Formula C6H4FNO3
2

4-Methylbenzotrifluoride 98.0+%, TCI America™

CAS: 6140-17-6 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.139 MDL Number: MFCD00075476 InChI Key: LRLRAYMYEXQKID-UHFFFAOYSA-N Synonym: 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene PubChem CID: 80230 IUPAC Name: 1-methyl-4-(trifluoromethyl)benzene SMILES: CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 80230
CAS 6140-17-6
Molecular Weight (g/mol) 160.139
MDL Number MFCD00075476
SMILES CC1=CC=C(C=C1)C(F)(F)F
Synonym 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene
IUPAC Name 1-methyl-4-(trifluoromethyl)benzene
InChI Key LRLRAYMYEXQKID-UHFFFAOYSA-N
Molecular Formula C8H7F3
3

4-(Trifluoromethylthio)benzoic Acid 97.0+%, TCI America™

CAS: 330-17-6 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.181 MDL Number: MFCD00040906 InChI Key: UMOGQQWVQUQTQA-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid PubChem CID: 2777858 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)SC(F)(F)F

PubChem CID 2777858
CAS 330-17-6
Molecular Weight (g/mol) 222.181
MDL Number MFCD00040906
SMILES C1=CC(=CC=C1C(=O)O)SC(F)(F)F
Synonym 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid
IUPAC Name 4-(trifluoromethylsulfanyl)benzoic acid
InChI Key UMOGQQWVQUQTQA-UHFFFAOYSA-N
Molecular Formula C8H5F3O2S
4

2,3,5,6-Tetrafluoroaniline 97.0+%, TCI America™

CAS: 700-17-4 Molecular Formula: C6H3F4N Molecular Weight (g/mol): 165.091 MDL Number: MFCD00007644 InChI Key: SPSWJTZNOXMMMV-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoraniline,2,3,5,6-tetrafluorobenzenamine,benzenamine, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorophenylamine,acmc-1bm33,2,3,5, 6-tetrafluoroaniline,2,3,5,6-tetrafluoro-aniline,2,3,5,6-tetrafluoro aniline,timtec-bb sbb028353,aniline, 2,3,5,6-tetrafluoro PubChem CID: 12786 IUPAC Name: 2,3,5,6-tetrafluoroaniline SMILES: C1=C(C(=C(C(=C1F)F)N)F)F

PubChem CID 12786
CAS 700-17-4
Molecular Weight (g/mol) 165.091
MDL Number MFCD00007644
SMILES C1=C(C(=C(C(=C1F)F)N)F)F
Synonym 2,3,5,6-tetrafluoraniline,2,3,5,6-tetrafluorobenzenamine,benzenamine, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorophenylamine,acmc-1bm33,2,3,5, 6-tetrafluoroaniline,2,3,5,6-tetrafluoro-aniline,2,3,5,6-tetrafluoro aniline,timtec-bb sbb028353,aniline, 2,3,5,6-tetrafluoro
IUPAC Name 2,3,5,6-tetrafluoroaniline
InChI Key SPSWJTZNOXMMMV-UHFFFAOYSA-N
Molecular Formula C6H3F4N
5

2,3,5,6-Tetrafluorobenzonitrile 92.0+%, TCI America™

CAS: 5216-17-1 Molecular Formula: C7HF4N Molecular Weight (g/mol): 175.09 MDL Number: MFCD00012286 InChI Key: IOQMWOBRUDNEOA-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorobenzenecarbonitrile,pubchem23299,4h-perfluorobenzonitrile,acmc-1ak3k,2,3,5,6-tetrafluoro-benzonitrile,2,3,5,6-tetrafluorobenzonitrile_x000d_,2,3,5,6-tetrakis fluoranyl benzenecarbonitrile PubChem CID: 297546 IUPAC Name: 2,3,5,6-tetrafluorobenzonitrile SMILES: FC1=CC(F)=C(F)C(C#N)=C1F

PubChem CID 297546
CAS 5216-17-1
Molecular Weight (g/mol) 175.09
MDL Number MFCD00012286
SMILES FC1=CC(F)=C(F)C(C#N)=C1F
Synonym 2,3,5,6-tetrafluorobenzenecarbonitrile,pubchem23299,4h-perfluorobenzonitrile,acmc-1ak3k,2,3,5,6-tetrafluoro-benzonitrile,2,3,5,6-tetrafluorobenzonitrile_x000d_,2,3,5,6-tetrakis fluoranyl benzenecarbonitrile
IUPAC Name 2,3,5,6-tetrafluorobenzonitrile
InChI Key IOQMWOBRUDNEOA-UHFFFAOYSA-N
Molecular Formula C7HF4N
6

Bis(3-fluorophenyl) Disulfide 97.0+%, TCI America™

CAS: 63930-17-6 Molecular Formula: C12H8F2S2 Molecular Weight (g/mol): 254.313 MDL Number: MFCD01318104 InChI Key: LFVFHTBHAIVNJQ-UHFFFAOYSA-N Synonym: bis 3-fluorophenyl disulfide,bis 3-fluorophenyl disulphide,1,2-bis 3-fluorophenyl disulfane,3,3'-difluoro diphenyl disulfide,1-fluoro-3-3-fluorophenyl disulfanyl benzene,3,3'-difluorodiphenyl disulfide,bis-3-fluorophenyl disulfide,disulfide, bis 3-fluorophenyl,di3-fluorophenyl disulfide PubChem CID: 2737794 IUPAC Name: 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F

PubChem CID 2737794
CAS 63930-17-6
Molecular Weight (g/mol) 254.313
MDL Number MFCD01318104
SMILES C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F
Synonym bis 3-fluorophenyl disulfide,bis 3-fluorophenyl disulphide,1,2-bis 3-fluorophenyl disulfane,3,3'-difluoro diphenyl disulfide,1-fluoro-3-3-fluorophenyl disulfanyl benzene,3,3'-difluorodiphenyl disulfide,bis-3-fluorophenyl disulfide,disulfide, bis 3-fluorophenyl,di3-fluorophenyl disulfide
IUPAC Name 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
InChI Key LFVFHTBHAIVNJQ-UHFFFAOYSA-N
Molecular Formula C12H8F2S2
7

6-Hydroxy-1-naphthoic Acid 98.0+%, TCI America™

CAS: 2437-17-4 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00209983 InChI Key: JCJUKCIXTRWAQY-UHFFFAOYSA-N Synonym: 6-Hydroxy-1-naphthalenecarboxylic Acid PubChem CID: 5463800 IUPAC Name: 6-hydroxynaphthalene-1-carboxylic acid SMILES: OC(=O)C1=C2C=CC(O)=CC2=CC=C1

PubChem CID 5463800
CAS 2437-17-4
Molecular Weight (g/mol) 188.18
MDL Number MFCD00209983
SMILES OC(=O)C1=C2C=CC(O)=CC2=CC=C1
Synonym 6-Hydroxy-1-naphthalenecarboxylic Acid
IUPAC Name 6-hydroxynaphthalene-1-carboxylic acid
InChI Key JCJUKCIXTRWAQY-UHFFFAOYSA-N
Molecular Formula C11H8O3
8

2-Chlorobenzyl Bromide 98.0+%, TCI America™

CAS: 611-17-6 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl

PubChem CID 11905
CAS 611-17-6
Molecular Weight (g/mol) 205.479
MDL Number MFCD00000566
SMILES C1=CC=C(C(=C1)CBr)Cl
Synonym 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4
IUPAC Name 1-(bromomethyl)-2-chlorobenzene
InChI Key PURSZYWBIQIANP-UHFFFAOYSA-N
Molecular Formula C7H6BrCl
9

4'-(Trifluoromethyl)biphenyl-2-carboxylic Acid 98.0+%, TCI America™

CAS: 84392-17-6 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.22 MDL Number: MFCD00075353 InChI Key: IQOMYCGTGFGDFN-UHFFFAOYSA-N Synonym: xenalipin,4-trifluoromethyl-2'-biphenylcarboxylic acid,xenalipine,4'-trifluoromethyl-1,1'-biphenyl-2-carboxylic acid,2-4-trifluoromethyl phenyl benzoic acid,4'-trifluoromethyl biphenyl-2-carboxylic acid,4'-trifluoromethyl-2-biphenylcarboxylic acid,2-4-trifluoromethylphenyl benzoic acid,4'-trifluoromethyl 1,1'-biphenyl-2-carboxylic acid,1,1'-biphenyl-2-carboxylic acid, 4'-trifluoromethyl PubChem CID: 55251 IUPAC Name: 4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid SMILES: OC(=O)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F

PubChem CID 55251
CAS 84392-17-6
Molecular Weight (g/mol) 266.22
MDL Number MFCD00075353
SMILES OC(=O)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F
Synonym xenalipin,4-trifluoromethyl-2'-biphenylcarboxylic acid,xenalipine,4'-trifluoromethyl-1,1'-biphenyl-2-carboxylic acid,2-4-trifluoromethyl phenyl benzoic acid,4'-trifluoromethyl biphenyl-2-carboxylic acid,4'-trifluoromethyl-2-biphenylcarboxylic acid,2-4-trifluoromethylphenyl benzoic acid,4'-trifluoromethyl 1,1'-biphenyl-2-carboxylic acid,1,1'-biphenyl-2-carboxylic acid, 4'-trifluoromethyl
IUPAC Name 4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
InChI Key IQOMYCGTGFGDFN-UHFFFAOYSA-N
Molecular Formula C14H9F3O2
10

4-Chloro-2,6-dibromoaniline 98.0+%, TCI America™

CAS: 874-17-9 Molecular Formula: C6H4Br2ClN Molecular Weight (g/mol): 285.363 MDL Number: MFCD00051750 InChI Key: XEYLQXUJSOJWJV-UHFFFAOYSA-N Synonym: 4-chloro-2,6-dibromoaniline,2,6-dibromo-4-chloro-phenylamine,4-chloro-4,6-dibromoaniline,2,6-dibromo-4-chlorophenylamine,pubchem3632,acmc-209qkf,2,6-dibromo-4-chloro-aniline,zerenex e/9070016,labotest-bb lt01147813,labotest-bb lt03332130 PubChem CID: 625286 IUPAC Name: 2,6-dibromo-4-chloroaniline SMILES: C1=C(C=C(C(=C1Br)N)Br)Cl

PubChem CID 625286
CAS 874-17-9
Molecular Weight (g/mol) 285.363
MDL Number MFCD00051750
SMILES C1=C(C=C(C(=C1Br)N)Br)Cl
Synonym 4-chloro-2,6-dibromoaniline,2,6-dibromo-4-chloro-phenylamine,4-chloro-4,6-dibromoaniline,2,6-dibromo-4-chlorophenylamine,pubchem3632,acmc-209qkf,2,6-dibromo-4-chloro-aniline,zerenex e/9070016,labotest-bb lt01147813,labotest-bb lt03332130
IUPAC Name 2,6-dibromo-4-chloroaniline
InChI Key XEYLQXUJSOJWJV-UHFFFAOYSA-N
Molecular Formula C6H4Br2ClN
11

Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical
SDP

CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1

CAS 562-10-7
Molecular Weight (g/mol) 388.46
MDL Number MFCD00056168
SMILES OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
IUPAC Name butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
InChI Key KBAUFVUYFNWQFM-UHFFFAOYNA-N
Molecular Formula C21H28N2O5
12

alpha,alpha',2,3,5,6-Hexachloro-p-xylene 98.0+%, TCI America™

CAS: 1079-17-0 Molecular Formula: C8H4Cl6 Molecular Weight (g/mol): 312.82 MDL Number: MFCD00000894 InChI Key: IYGDLOMSJZQSGY-UHFFFAOYSA-N PubChem CID: 66179 IUPAC Name: 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl

PubChem CID 66179
CAS 1079-17-0
Molecular Weight (g/mol) 312.82
MDL Number MFCD00000894
SMILES C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl
IUPAC Name 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene
InChI Key IYGDLOMSJZQSGY-UHFFFAOYSA-N
Molecular Formula C8H4Cl6
13

4,4'-(1,3-Dimethylbutylidene)diphenol 98.0+%, TCI America™

CAS: 6807-17-6 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 InChI Key: VHLLJTHDWPAQEM-UHFFFAOYSA-N Synonym: 2,2-Bis(4-hydroxyphenyl)-4-methylpentane PubChem CID: 81259 IUPAC Name: 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol SMILES: CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

PubChem CID 81259
CAS 6807-17-6
Molecular Weight (g/mol) 270.372
SMILES CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Synonym 2,2-Bis(4-hydroxyphenyl)-4-methylpentane
IUPAC Name 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
InChI Key VHLLJTHDWPAQEM-UHFFFAOYSA-N
Molecular Formula C18H22O2
14

3,3',5,5'-Tetramethylbenzidine 98.0+%, TCI America™

CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00007748 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

PubChem CID 41206
CAS 54827-17-7
Molecular Weight (g/mol) 240.35
MDL Number MFCD00007748
SMILES CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
Synonym 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble
IUPAC Name 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline
InChI Key UAIUNKRWKOVEES-UHFFFAOYSA-N
Molecular Formula C16H20N2
15

3,3',5,5'-Tetramethylbenzidine 98.0+%, TCI America™

CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00007748 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

PubChem CID 41206
CAS 54827-17-7
Molecular Weight (g/mol) 240.35
MDL Number MFCD00007748
SMILES CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
Synonym 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble
IUPAC Name 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline
InChI Key UAIUNKRWKOVEES-UHFFFAOYSA-N
Molecular Formula C16H20N2