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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 (107)
Phenols (20)
Naphthalenes (7)
Unsubstituted Phenols (5)
Fluorenes (1)
Indanes (1)
Phenanthrenes and derivatives (1)

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1 – 15 of 130 results
1

2-(Trifluoromethyl)phenylacetylene, 97%

CAS: 704-41-6 Molecular Formula: C9H5F3 Molecular Weight (g/mol): 170.134 MDL Number: MFCD00467313 InChI Key: OOZKONVIIMFOKW-UHFFFAOYSA-N Synonym: 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene PubChem CID: 4100856 IUPAC Name: 1-ethynyl-2-(trifluoromethyl)benzene SMILES: C#CC1=CC=CC=C1C(F)(F)F

PubChem CID 4100856
CAS 704-41-6
Molecular Weight (g/mol) 170.134
MDL Number MFCD00467313
SMILES C#CC1=CC=CC=C1C(F)(F)F
Synonym 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene
IUPAC Name 1-ethynyl-2-(trifluoromethyl)benzene
InChI Key OOZKONVIIMFOKW-UHFFFAOYSA-N
Molecular Formula C9H5F3
2

3,5-Dibromosulfanilamide 97.0+%, TCI America™

CAS: 39150-45-3 Molecular Formula: C6H6Br2N2O2S Molecular Weight (g/mol): 329.994 MDL Number: MFCD00014783 InChI Key: DLXJPWSYRLLYSV-UHFFFAOYSA-N PubChem CID: 3084733 IUPAC Name: 4-amino-3,5-dibromobenzenesulfonamide SMILES: C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N

PubChem CID 3084733
CAS 39150-45-3
Molecular Weight (g/mol) 329.994
MDL Number MFCD00014783
SMILES C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N
IUPAC Name 4-amino-3,5-dibromobenzenesulfonamide
InChI Key DLXJPWSYRLLYSV-UHFFFAOYSA-N
Molecular Formula C6H6Br2N2O2S
3

1-Naphthohydrazide 98.0+%, TCI America™

CAS: 43038-45-5 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: VMFUMDXVTKTZQY-UHFFFAOYSA-N Synonym: 1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide # PubChem CID: 72689 IUPAC Name: naphthalene-1-carbohydrazide SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NN

PubChem CID 72689
CAS 43038-45-5
Molecular Weight (g/mol) 186.214
SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)NN
Synonym 1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide #
IUPAC Name naphthalene-1-carbohydrazide
InChI Key VMFUMDXVTKTZQY-UHFFFAOYSA-N
Molecular Formula C11H10N2O
4

2-Ethoxybenzonitrile 98.0+%, TCI America™

CAS: 6609-57-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001789 InChI Key: DXTLCLWOCYLDHL-UHFFFAOYSA-N Synonym: o-ethoxybenzonitrile,benzonitrile, ethoxy,2-ethoxybenzenecarbonitrile,o-ethoxybenzontrle,acmc-20anwu,2-ethoxy benzonitrile,2-ethoxy-benzonitrile,pubchem4773,benzonitrile, 2-ethoxy,2-ethoxybenzonitrile PubChem CID: 576922 IUPAC Name: 2-ethoxybenzonitrile SMILES: CCOC1=CC=CC=C1C#N

PubChem CID 576922
CAS 6609-57-0
Molecular Weight (g/mol) 147.177
MDL Number MFCD00001789
SMILES CCOC1=CC=CC=C1C#N
Synonym o-ethoxybenzonitrile,benzonitrile, ethoxy,2-ethoxybenzenecarbonitrile,o-ethoxybenzontrle,acmc-20anwu,2-ethoxy benzonitrile,2-ethoxy-benzonitrile,pubchem4773,benzonitrile, 2-ethoxy,2-ethoxybenzonitrile
IUPAC Name 2-ethoxybenzonitrile
InChI Key DXTLCLWOCYLDHL-UHFFFAOYSA-N
Molecular Formula C9H9NO
5

5-Chloro-2-fluorobenzyl Bromide 97.0+%, TCI America™

CAS: 71916-91-1 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.469 MDL Number: MFCD01631437 InChI Key: DJXBUSVMEONVRS-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzyl bromide,2-bromomethyl-4-chloro-1-fluorobenzene,2-fluoro-5-chlorobenzyl bromide,1-bromomethyl-5-chloro-2-fluorobenzene,5-chloro-2-fluorobenzylbromide,alpha-bromo-3-chloro-6-fluorotoluene,benzene, 2-bromomethyl-4-chloro-1-fluoro,2-fluoro-5-chlorobenzylbromide,pubchem4899,acmc-209oko PubChem CID: 2773626 IUPAC Name: 2-(bromomethyl)-4-chloro-1-fluorobenzene SMILES: C1=CC(=C(C=C1Cl)CBr)F

PubChem CID 2773626
CAS 71916-91-1
Molecular Weight (g/mol) 223.469
MDL Number MFCD01631437
SMILES C1=CC(=C(C=C1Cl)CBr)F
Synonym 5-chloro-2-fluorobenzyl bromide,2-bromomethyl-4-chloro-1-fluorobenzene,2-fluoro-5-chlorobenzyl bromide,1-bromomethyl-5-chloro-2-fluorobenzene,5-chloro-2-fluorobenzylbromide,alpha-bromo-3-chloro-6-fluorotoluene,benzene, 2-bromomethyl-4-chloro-1-fluoro,2-fluoro-5-chlorobenzylbromide,pubchem4899,acmc-209oko
IUPAC Name 2-(bromomethyl)-4-chloro-1-fluorobenzene
InChI Key DJXBUSVMEONVRS-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
6

4-Butoxybenzyl Alcohol 97.0+%, TCI America™

CAS: 6214-45-5 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00004657 InChI Key: MGKNBDBZIKPUFM-UHFFFAOYSA-N Synonym: 4-butoxybenzyl alcohol,4-butoxyphenyl methanol,4-n-butoxybenzyl alcohol,p-butoxybenzyl alcohol,benzenemethanol, 4-butoxy,4-butoxybenzylalcohol,benzenemethanol,4-butoxy,4-butoxy-phenyl-methanol,4-butoxyphenyl methanol #,acmc-1b65d PubChem CID: 80346 IUPAC Name: (4-butoxyphenyl)methanol SMILES: CCCCOC1=CC=C(CO)C=C1

PubChem CID 80346
CAS 6214-45-5
Molecular Weight (g/mol) 180.25
MDL Number MFCD00004657
SMILES CCCCOC1=CC=C(CO)C=C1
Synonym 4-butoxybenzyl alcohol,4-butoxyphenyl methanol,4-n-butoxybenzyl alcohol,p-butoxybenzyl alcohol,benzenemethanol, 4-butoxy,4-butoxybenzylalcohol,benzenemethanol,4-butoxy,4-butoxy-phenyl-methanol,4-butoxyphenyl methanol #,acmc-1b65d
IUPAC Name (4-butoxyphenyl)methanol
InChI Key MGKNBDBZIKPUFM-UHFFFAOYSA-N
Molecular Formula C11H16O2
7

3,4,5-Trifluorobenzonitrile 98.0+%, TCI America™

CAS: 134227-45-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00074948 InChI Key: XFKYJMGXZXJYBS-UHFFFAOYSA-N Synonym: 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile PubChem CID: 593814 IUPAC Name: 3,4,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)F)C#N

PubChem CID 593814
CAS 134227-45-5
Molecular Weight (g/mol) 157.095
MDL Number MFCD00074948
SMILES C1=C(C=C(C(=C1F)F)F)C#N
Synonym 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile
IUPAC Name 3,4,5-trifluorobenzonitrile
InChI Key XFKYJMGXZXJYBS-UHFFFAOYSA-N
Molecular Formula C7H2F3N
8

3-Chloro-3'-methoxystilbene 97.0+%, TCI America™

CAS: 164220-45-5 Molecular Formula: C15H13ClO Molecular Weight (g/mol): 244.72 MDL Number: MFCD01861281 InChI Key: DXHFJXLLHMOLGG-UHFFFAOYSA-N PubChem CID: 53421106 IUPAC Name: 1-[2-(3-chlorophenyl)ethenyl]-3-methoxybenzene SMILES: COC1=CC=CC(C=CC2=CC(Cl)=CC=C2)=C1

PubChem CID 53421106
CAS 164220-45-5
Molecular Weight (g/mol) 244.72
MDL Number MFCD01861281
SMILES COC1=CC=CC(C=CC2=CC(Cl)=CC=C2)=C1
IUPAC Name 1-[2-(3-chlorophenyl)ethenyl]-3-methoxybenzene
InChI Key DXHFJXLLHMOLGG-UHFFFAOYSA-N
Molecular Formula C15H13ClO
9

4-Amylbenzoic Acid 98.0+%, TCI America™

CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O

PubChem CID 33479
CAS 26311-45-5
Molecular Weight (g/mol) 192.258
MDL Number MFCD00002572
SMILES CCCCCC1=CC=C(C=C1)C(=O)O
Synonym benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid
IUPAC Name 4-pentylbenzoic acid
InChI Key CWYNKKGQJYAHQG-UHFFFAOYSA-N
Molecular Formula C12H16O2
10

4,5-Dichloro-2-nitrotoluene 98.0+%, TCI America™

CAS: 7494-45-3 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.022 InChI Key: AOTWCYSQDSKAQT-UHFFFAOYSA-N PubChem CID: 343795 IUPAC Name: 1,2-dichloro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

PubChem CID 343795
CAS 7494-45-3
Molecular Weight (g/mol) 206.022
SMILES CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
IUPAC Name 1,2-dichloro-4-methyl-5-nitrobenzene
InChI Key AOTWCYSQDSKAQT-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO2
11

4-Fluoro-1,2-dimethoxybenzene, 98%

CAS: 398-62-9 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00012201 InChI Key: DAGKHJDZYJFWSO-UHFFFAOYSA-N Synonym: 4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy PubChem CID: 593640 IUPAC Name: 4-fluoro-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)F)OC

PubChem CID 593640
CAS 398-62-9
Molecular Weight (g/mol) 156.156
MDL Number MFCD00012201
SMILES COC1=C(C=C(C=C1)F)OC
Synonym 4-fluoroveratrole,1,2-dimethoxy-4-fluorobenzene,3,4-dimethoxyfluorobenzene,1-fluoro-3,4-dimethoxybenzene,4-fluoro-1,2-dimethoxy-benzene,3,4-dimethoxy-1-fluorobenzene,4-fluoroveratrol,pubchem3048,acmc-1acnf,fluorobenzene, 3,4-methoxy
IUPAC Name 4-fluoro-1,2-dimethoxybenzene
InChI Key DAGKHJDZYJFWSO-UHFFFAOYSA-N
Molecular Formula C8H9FO2
12

2-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 6971-45-5 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00035456 InChI Key: HECSHXUNOVTAIJ-UHFFFAOYSA-N Synonym: 2-Hydrazinoanisole Hydrochloride PubChem CID: 2849445 IUPAC Name: (2-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=CC=C1NN.Cl

PubChem CID 2849445
CAS 6971-45-5
Molecular Weight (g/mol) 174.628
MDL Number MFCD00035456
SMILES COC1=CC=CC=C1NN.Cl
Synonym 2-Hydrazinoanisole Hydrochloride
IUPAC Name (2-methoxyphenyl)hydrazine;hydrochloride
InChI Key HECSHXUNOVTAIJ-UHFFFAOYSA-N
Molecular Formula C7H11ClN2O
13

Dimethyl Nitroterephthalate 97.0+%, TCI America™

CAS: 5292-45-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008422 InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N Synonym: dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate PubChem CID: 21364 IUPAC Name: 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O

PubChem CID 21364
CAS 5292-45-5
Molecular Weight (g/mol) 239.18
MDL Number MFCD00008422
SMILES COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O
Synonym dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate
IUPAC Name 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate
InChI Key PAYWCKGMOYQZAW-UHFFFAOYSA-N
Molecular Formula C10H9NO6
14

3-Bromo-4-hydroxy-5-methoxybenzonitrile 98.0+%, TCI America™

CAS: 52805-45-5 Molecular Formula: C8H6BrNO2 Molecular Weight (g/mol): 228.045 MDL Number: MFCD01123027 InChI Key: FHXLXRNDUJYBEQ-UHFFFAOYSA-N Synonym: 3-bromo-4-hydroxy-5-methoxy-benzonitrile,3-bromo-4-hydroxy-5-methoxybenzenecarbonitrile,acmc-1atrh,3-bromo-4-hydroxy-5-methoxybenzonitrile PubChem CID: 7021625 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzonitrile SMILES: COC1=C(C(=CC(=C1)C#N)Br)O

PubChem CID 7021625
CAS 52805-45-5
Molecular Weight (g/mol) 228.045
MDL Number MFCD01123027
SMILES COC1=C(C(=CC(=C1)C#N)Br)O
Synonym 3-bromo-4-hydroxy-5-methoxy-benzonitrile,3-bromo-4-hydroxy-5-methoxybenzenecarbonitrile,acmc-1atrh,3-bromo-4-hydroxy-5-methoxybenzonitrile
IUPAC Name 3-bromo-4-hydroxy-5-methoxybenzonitrile
InChI Key FHXLXRNDUJYBEQ-UHFFFAOYSA-N
Molecular Formula C8H6BrNO2
15

4-Fluorophenyl Isocyanate 98.0+%, TCI America™

CAS: 1195-45-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00002023 InChI Key: DSVGFKBFFICWLZ-UHFFFAOYSA-N PubChem CID: 70955 IUPAC Name: 1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)F

PubChem CID 70955
CAS 1195-45-5
Molecular Weight (g/mol) 137.113
MDL Number MFCD00002023
SMILES C1=CC(=CC=C1N=C=O)F
IUPAC Name 1-fluoro-4-isocyanatobenzene
InChI Key DSVGFKBFFICWLZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO