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.

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9,361 – 9,375 of 78,418 results

9,361

1,1-Bis(4-aminophenyl)cyclohexane 98.0+%, TCI America™

CAS: 3282-99-3 Molecular Formula: C18H22N2 Molecular Weight (g/mol): 266.39 MDL Number: MFCD00035700 InChI Key: DJCVCYUEICJZBD-UHFFFAOYSA-N PubChem CID: 768325 IUPAC Name: 4-[4-(4-aminophenyl)cyclohexyl]aniline SMILES: NC1=CC=C(C=C1)C1CCC(CC1)C1=CC=C(N)C=C1

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Specifications

PubChem CID	768325
CAS	3282-99-3
Molecular Weight (g/mol)	266.39
MDL Number	MFCD00035700
SMILES	NC1=CC=C(C=C1)C1CCC(CC1)C1=CC=C(N)C=C1
IUPAC Name	4-[4-(4-aminophenyl)cyclohexyl]aniline
InChI Key	DJCVCYUEICJZBD-UHFFFAOYSA-N
Molecular Formula	C18H22N2

9,362

N-Phenylmethanesulfonamide 98.0+%, TCI America™

CAS: 1197-22-4 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00043782 InChI Key: LBTPIFQNEKOAIM-UHFFFAOYSA-N Synonym: methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline PubChem CID: 70970 IUPAC Name: N-phenylmethanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	70970
CAS	1197-22-4
Molecular Weight (g/mol)	171.21
MDL Number	MFCD00043782
SMILES	CS(=O)(=O)NC1=CC=CC=C1
Synonym	methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline
IUPAC Name	N-phenylmethanesulfonamide
InChI Key	LBTPIFQNEKOAIM-UHFFFAOYSA-N
Molecular Formula	C7H9NO2S

9,363

Trifluoromethanesulfonanilide 98.0+%, TCI America™

CAS: 456-64-4 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00521820 InChI Key: OXDSKEQSEGDAFN-UHFFFAOYSA-N Synonym: N-Phenyl(trifluoromethane)sulfonamide, 1,1,1-Trifluoro-N-phenylmethanesulfonamide PubChem CID: 68012 IUPAC Name: 1,1,1-trifluoro-N-phenylmethanesulfonamide SMILES: C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	68012
CAS	456-64-4
Molecular Weight (g/mol)	225.185
MDL Number	MFCD00521820
SMILES	C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F
Synonym	N-Phenyl(trifluoromethane)sulfonamide, 1,1,1-Trifluoro-N-phenylmethanesulfonamide
IUPAC Name	1,1,1-trifluoro-N-phenylmethanesulfonamide
InChI Key	OXDSKEQSEGDAFN-UHFFFAOYSA-N
Molecular Formula	C7H6F3NO2S

9,364

4'-(Benzyloxy)benzylidene-4-fluoroaniline 98.0+%, TCI America™

CAS: 70627-52-0 Molecular Formula: C20H16FNO Molecular Weight (g/mol): 305.35 MDL Number: MFCD00017951 InChI Key: IWNBEFDVKWCBFY-UHFFFAOYSA-N PubChem CID: 791783 IUPAC Name: 1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine SMILES: FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	791783
CAS	70627-52-0
Molecular Weight (g/mol)	305.35
MDL Number	MFCD00017951
SMILES	FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1
IUPAC Name	1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine
InChI Key	IWNBEFDVKWCBFY-UHFFFAOYSA-N
Molecular Formula	C20H16FNO

9,365

2,4,6-Tris(4-fluorophenyl)boroxin 98.0+%, TCI America™

CAS: 448-59-9 Molecular Formula: C18H12B3F3O3 Molecular Weight (g/mol): 365.716 MDL Number: MFCD02093496 InChI Key: AHYNJLHYJZXUSD-UHFFFAOYSA-N Synonym: 4-Fluorophenylboronic Anhydride, Tris(4-fluorophenyl)cyclotriboroxane PubChem CID: 2769359 IUPAC Name: 2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane SMILES: B1(OB(OB(O1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

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Specifications

PubChem CID	2769359
CAS	448-59-9
Molecular Weight (g/mol)	365.716
MDL Number	MFCD02093496
SMILES	B1(OB(OB(O1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Synonym	4-Fluorophenylboronic Anhydride, Tris(4-fluorophenyl)cyclotriboroxane
IUPAC Name	2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane
InChI Key	AHYNJLHYJZXUSD-UHFFFAOYSA-N
Molecular Formula	C18H12B3F3O3

9,366

4-Amino-2,5-difluorobenzonitrile 98.0+%, TCI America™

CAS: 112279-61-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00190102 InChI Key: LAPGMTOHOQPDGI-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 PubChem CID: 2735900 IUPAC Name: 4-amino-2,5-difluorobenzonitrile SMILES: C1=C(C(=CC(=C1F)N)F)C#N

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Specifications

PubChem CID	2735900
CAS	112279-61-5
Molecular Weight (g/mol)	154.12
MDL Number	MFCD00190102
SMILES	C1=C(C(=CC(=C1F)N)F)C#N
Synonym	2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75
IUPAC Name	4-amino-2,5-difluorobenzonitrile
InChI Key	LAPGMTOHOQPDGI-UHFFFAOYSA-N
Molecular Formula	C7H4F2N2

9,367

2,4-Dichlorofluorobenzene 96.0+%, TCI America™

CAS: 1435-48-9 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.988 MDL Number: MFCD00000580 InChI Key: BDJZCCWUSOZUQG-UHFFFAOYSA-N Synonym: 1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene PubChem CID: 123112 IUPAC Name: 2,4-dichloro-1-fluorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)F

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Specifications

PubChem CID	123112
CAS	1435-48-9
Molecular Weight (g/mol)	164.988
MDL Number	MFCD00000580
SMILES	C1=CC(=C(C=C1Cl)Cl)F
Synonym	1,3-dichloro-4-fluorobenzene,2,4-dichlorofluorobenzene,benzene, 2,4-dichloro-1-fluoro,dcfb,benzene,2,4-dichloro-1-fluoro,2,4-dichloro-1-fluoro-benzene,pubchem2312,acmc-209cqu,2,4-dichlorofluobenzene,1,3-dichlorofluorobenzene
IUPAC Name	2,4-dichloro-1-fluorobenzene
InChI Key	BDJZCCWUSOZUQG-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2F

9,368

2,6-Dinitro-4-(trifluoromethyl)phenol 97.0+%, TCI America™

CAS: 393-77-1 Molecular Formula: C7H3F3N2O5 Molecular Weight (g/mol): 252.105 MDL Number: MFCD00194260 InChI Key: FXZGYEWQIGIFMC-UHFFFAOYSA-N Synonym: 4-Hydroxy-3,5-dinitrobenzotrifluoride, alpha,alpha,alpha-Trifluoro-2,6-dinitro-p-cresol PubChem CID: 164591 IUPAC Name: 2,6-dinitro-4-(trifluoromethyl)phenol SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F

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Specifications

PubChem CID	164591
CAS	393-77-1
Molecular Weight (g/mol)	252.105
MDL Number	MFCD00194260
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F
Synonym	4-Hydroxy-3,5-dinitrobenzotrifluoride, alpha,alpha,alpha-Trifluoro-2,6-dinitro-p-cresol
IUPAC Name	2,6-dinitro-4-(trifluoromethyl)phenol
InChI Key	FXZGYEWQIGIFMC-UHFFFAOYSA-N
Molecular Formula	C7H3F3N2O5

9,369

Resorcinol 99.0+%, TCI America™

CAS: 108-46-3 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00002269 InChI Key: GHMLBKRAJCXXBS-UHFFFAOYSA-N Synonym: 1,3-Dihydroxybenzene PubChem CID: 5054 ChEBI: CHEBI:27810 IUPAC Name: benzene-1,3-diol SMILES: C1=CC(=CC(=C1)O)O

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Specifications

PubChem CID	5054
CAS	108-46-3
Molecular Weight (g/mol)	110.112
ChEBI	CHEBI:27810
MDL Number	MFCD00002269
SMILES	C1=CC(=CC(=C1)O)O
Synonym	1,3-Dihydroxybenzene
IUPAC Name	benzene-1,3-diol
InChI Key	GHMLBKRAJCXXBS-UHFFFAOYSA-N
Molecular Formula	C6H6O2

9,370

4-Nitrotoluene-2-sulfonic Acid Hydrate 95.0+%, TCI America™

CAS: 121-03-9 Molecular Formula: C7H7NO5S Molecular Weight (g/mol): 217.195 MDL Number: MFCD00024914 InChI Key: ZDTXQHVBLWYPHS-UHFFFAOYSA-N PubChem CID: 8458 ChEBI: CHEBI:67120 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

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Specifications

PubChem CID	8458
CAS	121-03-9
Molecular Weight (g/mol)	217.195
ChEBI	CHEBI:67120
MDL Number	MFCD00024914
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O
InChI Key	ZDTXQHVBLWYPHS-UHFFFAOYSA-N
Molecular Formula	C7H7NO5S

9,371

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

CAS: 769-10-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 MDL Number: MFCD00007197 InChI Key: GXPIVRKDWZKIKZ-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrotoluene,1-fluor-2-methyl-3-nitrobenzene,2-nitro-6-fluorotoluene,6-fluoro-2-nitrotoluene,benzene, 1-fluoro-2-methyl-3-nitro,3-fluoro-2-methyl-1-nitrobenzene,1-fluor-2-methyl-3-nitrobenzol,pubchem1594,acmc-1bc1k PubChem CID: 69854 IUPAC Name: 1-fluoro-2-methyl-3-nitrobenzene SMILES: CC1=C(F)C=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	69854
CAS	769-10-8
Molecular Weight (g/mol)	155.13
MDL Number	MFCD00007197
SMILES	CC1=C(F)C=CC=C1[N+]([O-])=O
Synonym	2-fluoro-6-nitrotoluene,1-fluor-2-methyl-3-nitrobenzene,2-nitro-6-fluorotoluene,6-fluoro-2-nitrotoluene,benzene, 1-fluoro-2-methyl-3-nitro,3-fluoro-2-methyl-1-nitrobenzene,1-fluor-2-methyl-3-nitrobenzol,pubchem1594,acmc-1bc1k
IUPAC Name	1-fluoro-2-methyl-3-nitrobenzene
InChI Key	GXPIVRKDWZKIKZ-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

9,372

N-Methyl-4-nitro-o-toluidine 97.0+%, TCI America™

CAS: 10439-77-7 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00059083 InChI Key: NJYYBTRBCMPYCJ-UHFFFAOYSA-N Synonym: N,2-Dimethyl-4-nitroaniline, 2-(Methylamino)-5-nitrotoluene PubChem CID: 25282 IUPAC Name: N,2-dimethyl-4-nitroaniline SMILES: CNC1=CC=C(C=C1C)[N+]([O-])=O

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Specifications

PubChem CID	25282
CAS	10439-77-7
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00059083
SMILES	CNC1=CC=C(C=C1C)[N+]([O-])=O
Synonym	N,2-Dimethyl-4-nitroaniline, 2-(Methylamino)-5-nitrotoluene
IUPAC Name	N,2-dimethyl-4-nitroaniline
InChI Key	NJYYBTRBCMPYCJ-UHFFFAOYSA-N
Molecular Formula	C8H10N2O2

9,373

4-Bromo-2-nitrotoluene 98.0+%, TCI America™

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

9,374

2-Iodo-4-nitrotoluene 97.0+%, TCI America™

CAS: 7745-92-8 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1I)[N+]([O-])=O

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Specifications

PubChem CID	82188
CAS	7745-92-8
Molecular Weight (g/mol)	263.03
MDL Number	MFCD00024329
SMILES	CC1=CC=C(C=C1I)[N+]([O-])=O
Synonym	2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821
IUPAC Name	2-iodo-1-methyl-4-nitrobenzene
InChI Key	BUQSRXQJUZTIEW-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

9,375

2-Chloro-3-nitrotoluene 98.0+%, TCI America™

CAS: 3970-40-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00134653 InChI Key: XTSGZXRUCAWXKY-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene PubChem CID: 77591 IUPAC Name: 2-chloro-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Cl)[N+]([O-])=O

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Specifications

PubChem CID	77591
CAS	3970-40-9
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00134653
SMILES	CC1=CC=CC(=C1Cl)[N+]([O-])=O
Synonym	2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene
IUPAC Name	2-chloro-1-methyl-3-nitrobenzene
InChI Key	XTSGZXRUCAWXKY-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

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