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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 (53,726)
Phenols (5,576)
Naphthalenes (4,128)
Fluorenes (1,022)
Unsubstituted Phenols (914)
Thiophenols (626)
Phenol esters (414)
Anthracenes (367)
Tetralins (305)
Triphenyl compounds (280)
Indanes (228)
Phenanthrenes and derivatives (225)
Pyrenes (161)
Dibenzocycloheptenes (52)
Naphthacenes (33)
Ellagic acids and derivatives (25)
Pentacenes (17)
Pentacenequinones (9)
Acenaphthylenes (7)
1-hydroxylamino 2-unsubstituted benzenoids (5)
Perylenequinones (3)

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346 – 360 of 55,094 results
346

4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.14 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

EDGE
PubChem CID 522170
CAS 654-70-6
Molecular Weight (g/mol) 186.14
SMILES C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-amino-2-(trifluoromethyl)benzonitrile
InChI Key PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
347

1-Acetylpyrene, 97%

CAS: 3264-21-9 Molecular Formula: C18H12O Molecular Weight (g/mol): 244.29 InChI Key: KCIJNJVCFPSUBQ-UHFFFAOYSA-N Synonym: 1-acetylpyrene,ethanone, 1-1-pyrenyl,1-pyren-1-yl ethanone,ethanone,1-1-pyrenyl,acetylpyrene,1-1-pyrenyl ethanone #,acmc-1cs50 PubChem CID: 96251 IUPAC Name: 1-pyren-1-ylethanone SMILES: CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

EDGE
PubChem CID 96251
CAS 3264-21-9
Molecular Weight (g/mol) 244.29
SMILES CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Synonym 1-acetylpyrene,ethanone, 1-1-pyrenyl,1-pyren-1-yl ethanone,ethanone,1-1-pyrenyl,acetylpyrene,1-1-pyrenyl ethanone #,acmc-1cs50
IUPAC Name 1-pyren-1-ylethanone
InChI Key KCIJNJVCFPSUBQ-UHFFFAOYSA-N
Molecular Formula C18H12O
348

2-Chloro-5-methoxyaniline, 98%

CAS: 2401-24-3 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.6 InChI Key: GBOUQGUQUUPGLO-UHFFFAOYSA-N Synonym: 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 PubChem CID: 75460 IUPAC Name: 2-chloro-5-methoxyaniline SMILES: COC1=CC(=C(C=C1)Cl)N

EDGE
PubChem CID 75460
CAS 2401-24-3
Molecular Weight (g/mol) 157.6
SMILES COC1=CC(=C(C=C1)Cl)N
Synonym 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038
IUPAC Name 2-chloro-5-methoxyaniline
InChI Key GBOUQGUQUUPGLO-UHFFFAOYSA-N
Molecular Formula C7H8ClNO
349

1,3-Benzenedithiol, 95%

CAS: 626-04-0 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004842 InChI Key: ZWOASCVFHSYHOB-UHFFFAOYSA-N Synonym: 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j PubChem CID: 522062 IUPAC Name: benzene-1,3-dithiol SMILES: SC1=CC(S)=CC=C1

EDGE
PubChem CID 522062
CAS 626-04-0
Molecular Weight (g/mol) 142.23
MDL Number MFCD00004842
SMILES SC1=CC(S)=CC=C1
Synonym 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j
IUPAC Name benzene-1,3-dithiol
InChI Key ZWOASCVFHSYHOB-UHFFFAOYSA-N
Molecular Formula C6H6S2
350

Thermo Scientific Chemicals Cyclizine hydrochloride, 98%

CAS: 303-25-3 Molecular Formula: C18H22N2·HCl Molecular Weight (g/mol): 302.84 InChI Key: UKPBEPCQTDRZSE-UHFFFAOYSA-N Synonym: cyclizine hydrochloride,cyclizine hcl,dihydrochlorid,marzine,reis-fit,unii-w0o1nhp4we,marezine hydrochloride,cyclizine monohydrochloride,w0o1nhp4we,1-diphenylmethyl-4-methylpiperazine monohydrochloride PubChem CID: 6420019 ChEBI: CHEBI:51045 IUPAC Name: 1-benzhydryl-4-methylpiperazine;hydrochloride SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

EDGE
PubChem CID 6420019
CAS 303-25-3
Molecular Weight (g/mol) 302.84
ChEBI CHEBI:51045
SMILES CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Synonym cyclizine hydrochloride,cyclizine hcl,dihydrochlorid,marzine,reis-fit,unii-w0o1nhp4we,marezine hydrochloride,cyclizine monohydrochloride,w0o1nhp4we,1-diphenylmethyl-4-methylpiperazine monohydrochloride
IUPAC Name 1-benzhydryl-4-methylpiperazine;hydrochloride
InChI Key UKPBEPCQTDRZSE-UHFFFAOYSA-N
Molecular Formula C18H22N2·HCl
351

2-Ethylbenzaldehyde, 97%

CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O

EDGE
PubChem CID 123406
CAS 22927-13-5
Molecular Weight (g/mol) 134.18
MDL Number MFCD02261766
SMILES CCC1=CC=CC=C1C=O
Synonym benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p
IUPAC Name 2-ethylbenzaldehyde
InChI Key NTWBHJYRDKBGBR-UHFFFAOYSA-N
Molecular Formula C9H10O
352

2-Bromo-4-chloro-1-iodobenzene, 98%

CAS: 31928-44-6 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.36 InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene PubChem CID: 13741326 IUPAC Name: 2-bromo-4-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Br)I

EDGE
PubChem CID 13741326
CAS 31928-44-6
Molecular Weight (g/mol) 317.36
SMILES C1=CC(=C(C=C1Cl)Br)I
Synonym 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene
IUPAC Name 2-bromo-4-chloro-1-iodobenzene
InChI Key CXHXFDQEFKFYQJ-UHFFFAOYSA-N
Molecular Formula C6H3BrClI
353

4-Iodobenzenesulfonamide, 95%

CAS: 825-86-5 Molecular Formula: C6H6INO2S Molecular Weight (g/mol): 283.09 InChI Key: KQZFABSTXSNEQH-UHFFFAOYSA-N Synonym: p-iodobenzenesulfonamide,4-iodobenzenesulphonamide,4-iodobenzene-1-sulfonamide,benzenesulfonamide,4-iodo,benzenesulfonamide, p-iodo,p-jodbenzolsulfonamid,4-iodibenzenesulphonamide,4-iodo-benzenesulfonamide,4-iodo-1-sulfamoylbenzene,3-11-00-00110 beilstein handbook reference PubChem CID: 13218 IUPAC Name: 4-iodobenzenesulfonamide SMILES: C1=CC(=CC=C1S(=O)(=O)N)I

EDGE
PubChem CID 13218
CAS 825-86-5
Molecular Weight (g/mol) 283.09
SMILES C1=CC(=CC=C1S(=O)(=O)N)I
Synonym p-iodobenzenesulfonamide,4-iodobenzenesulphonamide,4-iodobenzene-1-sulfonamide,benzenesulfonamide,4-iodo,benzenesulfonamide, p-iodo,p-jodbenzolsulfonamid,4-iodibenzenesulphonamide,4-iodo-benzenesulfonamide,4-iodo-1-sulfamoylbenzene,3-11-00-00110 beilstein handbook reference
IUPAC Name 4-iodobenzenesulfonamide
InChI Key KQZFABSTXSNEQH-UHFFFAOYSA-N
Molecular Formula C6H6INO2S
354

Benzo[g]chrysene, 98%, Thermo Scientific™

CAS: 196-78-1 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.35 InChI Key: JZOIZKBKSZMVRV-UHFFFAOYSA-N Synonym: benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y PubChem CID: 9140 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35

EDGE
PubChem CID 9140
CAS 196-78-1
Molecular Weight (g/mol) 278.35
SMILES C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35
Synonym benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y
InChI Key JZOIZKBKSZMVRV-UHFFFAOYSA-N
Molecular Formula C22H14
355

Lumefantrine, 98%, Thermo Scientific Chemicals

CAS: 82186-77-4 Molecular Formula: C30H32Cl3NO Molecular Weight (g/mol): 528.94 MDL Number: MFCD05662268 InChI Key: DYLGFOYVTXJFJP-MYYYXRDXNA-N IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol SMILES: CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1

EDGE
CAS 82186-77-4
Molecular Weight (g/mol) 528.94
MDL Number MFCD05662268
SMILES CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1
IUPAC Name 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol
InChI Key DYLGFOYVTXJFJP-MYYYXRDXNA-N
Molecular Formula C30H32Cl3NO
356

2-Hydroxyphenylboronic acid, 97%

CAS: 89466-08-0 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074581 InChI Key: YDMRDHQUQIVWBE-UHFFFAOYSA-N Synonym: 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d PubChem CID: 2773454 IUPAC Name: (2-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1O

EDGE
PubChem CID 2773454
CAS 89466-08-0
Molecular Weight (g/mol) 137.93
MDL Number MFCD01074581
SMILES OB(O)C1=CC=CC=C1O
Synonym 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d
IUPAC Name (2-hydroxyphenyl)boronic acid
InChI Key YDMRDHQUQIVWBE-UHFFFAOYSA-N
Molecular Formula C6H7BO3
357

3-(Trifluoromethyl)styrene, 97+%, stabilized

CAS: 402-24-4 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075481 InChI Key: ARHOUOIHKWELMD-UHFFFAOYSA-N Synonym: 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene PubChem CID: 520986 IUPAC Name: 1-ethenyl-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(C=C)=C1

EDGE
PubChem CID 520986
CAS 402-24-4
Molecular Weight (g/mol) 172.15
MDL Number MFCD00075481
SMILES FC(F)(F)C1=CC=CC(C=C)=C1
Synonym 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene
IUPAC Name 1-ethenyl-3-(trifluoromethyl)benzene
InChI Key ARHOUOIHKWELMD-UHFFFAOYSA-N
Molecular Formula C9H7F3
358

Benzyltrimethylammonium tribromide, 97%

CAS: 111865-47-5 Molecular Formula: C10H16Br3N Molecular Weight (g/mol): 389.95 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr

EDGE
PubChem CID 86222689
CAS 111865-47-5
Molecular Weight (g/mol) 389.95
MDL Number MFCD00134423
SMILES C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
Synonym benzyltrimethylammonium tribromide
IUPAC Name benzyl(trimethyl)azanium;molecular bromine;hydrobromide
InChI Key GSDDWZVWOXMLJZ-UHFFFAOYSA-N
Molecular Formula C10H16Br3N
359

alpha-Bromo-4-nitro-o-cresol, 95%

CAS: 772-33-8 MDL Number: MFCD00007340 InChI Key: KFDPCYZHENQOBV-UHFFFAOYSA-N Synonym: 2-hydroxy-5-nitrobenzyl bromide,2-bromomethyl-4-nitrophenol,alpha-bromo-4-nitro-o-cresol,phenol, 2-bromomethyl-4-nitro,koshland reagent i,2-bromomethyl-4-nitro-phenol,2-hydroxy-5-nitrobenzylbromide,.alpha.-bromo-4-nitro-o-cresol,o-cresol, .alpha.-bromo-4-nitro,koshland i PubChem CID: 13044 IUPAC Name: 2-(bromomethyl)-4-nitrophenol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CBr)O

EDGE
PubChem CID 13044
CAS 772-33-8
MDL Number MFCD00007340
SMILES C1=CC(=C(C=C1[N+](=O)[O-])CBr)O
Synonym 2-hydroxy-5-nitrobenzyl bromide,2-bromomethyl-4-nitrophenol,alpha-bromo-4-nitro-o-cresol,phenol, 2-bromomethyl-4-nitro,koshland reagent i,2-bromomethyl-4-nitro-phenol,2-hydroxy-5-nitrobenzylbromide,.alpha.-bromo-4-nitro-o-cresol,o-cresol, .alpha.-bromo-4-nitro,koshland i
IUPAC Name 2-(bromomethyl)-4-nitrophenol
InChI Key KFDPCYZHENQOBV-UHFFFAOYSA-N
360

2,3-Dimethyl-2,3-diphenylbutane, 95%

CAS: 1889-67-4 Molecular Formula: C18H22 Molecular Weight (g/mol): 238.37 MDL Number: MFCD00053713 InChI Key: HGTUJZTUQFXBIH-UHFFFAOYSA-N Synonym: 2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene PubChem CID: 74681 IUPAC Name: (2,3-dimethyl-3-phenylbutan-2-yl)benzene SMILES: CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2

EDGE
PubChem CID 74681
CAS 1889-67-4
Molecular Weight (g/mol) 238.37
MDL Number MFCD00053713
SMILES CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2
Synonym 2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene
IUPAC Name (2,3-dimethyl-3-phenylbutan-2-yl)benzene
InChI Key HGTUJZTUQFXBIH-UHFFFAOYSA-N
Molecular Formula C18H22