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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7,531 – 7,545 of 105,509 results

7,531

5-Bromo-2-chloro-4-fluoroanisole 98.0+%, TCI America™

CAS: 146447-18-9 Molecular Formula: C7H5BrClFO Molecular Weight (g/mol): 239.468 MDL Number: MFCD07784265 InChI Key: KHRHCBZTZQFNDK-UHFFFAOYSA-N Synonym: 1-Bromo-4-chloro-2-fluoro-5-methoxybenzene PubChem CID: 10220378 IUPAC Name: 1-bromo-4-chloro-2-fluoro-5-methoxybenzene SMILES: COC1=CC(=C(C=C1Cl)F)Br

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Specifications

PubChem CID	10220378
CAS	146447-18-9
Molecular Weight (g/mol)	239.468
MDL Number	MFCD07784265
SMILES	COC1=CC(=C(C=C1Cl)F)Br
Synonym	1-Bromo-4-chloro-2-fluoro-5-methoxybenzene
IUPAC Name	1-bromo-4-chloro-2-fluoro-5-methoxybenzene
InChI Key	KHRHCBZTZQFNDK-UHFFFAOYSA-N
Molecular Formula	C7H5BrClFO

7,532

2-Methoxybenzonitrile 98.0+%, TCI America™

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

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Specifications

PubChem CID	81086
CAS	6609-56-9
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001783
SMILES	COC1=CC=CC=C1C#N
Synonym	2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name	2-methoxybenzonitrile
InChI Key	FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula	C8H7NO

7,533

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

CAS: 93343-10-3 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00042560 InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N Synonym: 3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole; PubChem CID: 2724518 IUPAC Name: 1,3-difluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(F)=C1

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Specifications

PubChem CID	2724518
CAS	93343-10-3
Molecular Weight (g/mol)	144.12
MDL Number	MFCD00042560
SMILES	COC1=CC(F)=CC(F)=C1
Synonym	3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole;
IUPAC Name	1,3-difluoro-5-methoxybenzene
InChI Key	OTGQPYSISUUHAF-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

7,534

Phenylurea 98.0+%, TCI America™

CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

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Specifications

PubChem CID	6145
CAS	64-10-8
Molecular Weight (g/mol)	136.154
MDL Number	MFCD00007944
SMILES	C1=CC=C(C=C1)NC(=O)N
Synonym	1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name	phenylurea
InChI Key	LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O

7,535

Decafluorobiphenyl 98.0+%, TCI America™

CAS: 434-90-2 Molecular Formula: C12F10 Molecular Weight (g/mol): 334.116 MDL Number: MFCD00000292 InChI Key: ONUFSRWQCKNVSL-UHFFFAOYSA-N Synonym: decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw PubChem CID: 67949 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

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Specifications

PubChem CID	67949
CAS	434-90-2
Molecular Weight (g/mol)	334.116
MDL Number	MFCD00000292
SMILES	C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym	decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw
IUPAC Name	1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
InChI Key	ONUFSRWQCKNVSL-UHFFFAOYSA-N
Molecular Formula	C12F10

7,536

4-Bromo-3-(trifluoromethyl)phenol 98.0+%, TCI America™

CAS: 320-49-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD03095342 InChI Key: VOWPIDJSINRFPZ-UHFFFAOYSA-N Synonym: 4-bromo-3-trifluoromethyl phenol,2-bromo-5-hydroxybenzotrifluoride,3-trifluoromethyl-4-bromophenol,phenol, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluromethylphenol,4-bromo-3-trifluoromethyl-phenol,btfp,pubchem2111,acmc-1ahmz,3-trifluoromethyl-4-bromo phenol PubChem CID: 22277307 IUPAC Name: 4-bromo-3-(trifluoromethyl)phenol SMILES: OC1=CC(=C(Br)C=C1)C(F)(F)F

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Specifications

PubChem CID	22277307
CAS	320-49-0
Molecular Weight (g/mol)	241.01
MDL Number	MFCD03095342
SMILES	OC1=CC(=C(Br)C=C1)C(F)(F)F
Synonym	4-bromo-3-trifluoromethyl phenol,2-bromo-5-hydroxybenzotrifluoride,3-trifluoromethyl-4-bromophenol,phenol, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluromethylphenol,4-bromo-3-trifluoromethyl-phenol,btfp,pubchem2111,acmc-1ahmz,3-trifluoromethyl-4-bromo phenol
IUPAC Name	4-bromo-3-(trifluoromethyl)phenol
InChI Key	VOWPIDJSINRFPZ-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

7,537

1,1'-Bi-2-naphthol 99.0+%, TCI America™

CAS: 602-09-5 Molecular Formula: C20H14O2 Molecular Weight (g/mol): 286.33 MDL Number: MFCD00004068 InChI Key: PPTXVXKCQZKFBN-UHFFFAOYSA-N Synonym: 1,1'-bi-2-naphthol,s---1,1'-bi-2-naphthol,r-+-1,1'-bi-2-naphthol,1,1'-binaphthalene-2,2'-diol,binol,1,1'-binaphthyl-2,2'-diol,2,2'-dinaphthol,beta-binaphthol,r-1,1'-bi-2-naphthol,s-1,1'-binaphthalene-2,2'-diol PubChem CID: 11762 IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O

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Specifications

PubChem CID	11762
CAS	602-09-5
Molecular Weight (g/mol)	286.33
MDL Number	MFCD00004068
SMILES	C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
Synonym	1,1'-bi-2-naphthol,s---1,1'-bi-2-naphthol,r-+-1,1'-bi-2-naphthol,1,1'-binaphthalene-2,2'-diol,binol,1,1'-binaphthyl-2,2'-diol,2,2'-dinaphthol,beta-binaphthol,r-1,1'-bi-2-naphthol,s-1,1'-binaphthalene-2,2'-diol
IUPAC Name	1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
InChI Key	PPTXVXKCQZKFBN-UHFFFAOYSA-N
Molecular Formula	C20H14O2

7,538

(Bromomethyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 1034-49-7 Molecular Formula: C19H17Br2P Molecular Weight (g/mol): 436.13 MDL Number: MFCD00011864 InChI Key: YFTMLUSIDVFTKU-UHFFFAOYSA-M Synonym: bromomethyl triphenylphosphonium bromide,bromomethyltriphenylphosphonium bromide,bromomethyl triphenylphosphoniumbromide,phosphonium, bromomethyl triphenyl-, bromide,bromomethyl triphenylphosphanium bromide,zlchem 395,bromomethyltriphenyl phosphonium bromide,bromomethyl triphenylphosphonium,bromomethyl triphenyl phosphanium bromide PubChem CID: 2733422 IUPAC Name: (bromomethyl)triphenylphosphanium bromide SMILES: [Br-].BrC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2733422
CAS	1034-49-7
Molecular Weight (g/mol)	436.13
MDL Number	MFCD00011864
SMILES	[Br-].BrC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	bromomethyl triphenylphosphonium bromide,bromomethyltriphenylphosphonium bromide,bromomethyl triphenylphosphoniumbromide,phosphonium, bromomethyl triphenyl-, bromide,bromomethyl triphenylphosphanium bromide,zlchem 395,bromomethyltriphenyl phosphonium bromide,bromomethyl triphenylphosphonium,bromomethyl triphenyl phosphanium bromide
IUPAC Name	(bromomethyl)triphenylphosphanium bromide
InChI Key	YFTMLUSIDVFTKU-UHFFFAOYSA-M
Molecular Formula	C19H17Br2P

7,539

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

CAS: 583-75-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007825 InChI Key: PCHYYOCUCGCSBU-UHFFFAOYSA-N Synonym: 2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine PubChem CID: 11423 IUPAC Name: 4-bromo-2-methylaniline SMILES: CC1=CC(Br)=CC=C1N

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Specifications

PubChem CID	11423
CAS	583-75-5
Molecular Weight (g/mol)	186.05
MDL Number	MFCD00007825
SMILES	CC1=CC(Br)=CC=C1N
Synonym	2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine
IUPAC Name	4-bromo-2-methylaniline
InChI Key	PCHYYOCUCGCSBU-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

7,540

(4-Bromobenzyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 51044-13-4 Molecular Formula: C25H21Br2P Molecular Weight (g/mol): 512.23 MDL Number: MFCD00051922 InChI Key: FQJYKXVQABPCRA-UHFFFAOYSA-M Synonym: 4-bromobenzyl triphenylphosphonium bromide,phosphonium, 4-bromophenyl methyl triphenyl-, bromide,4-bromophenyl methyl triphenylphosphanium bromide,acmc-20apnl,4-bromobenzyltriphenylphosphoniumbromide,4-bromobenzyl triphenylphosphoniumbromide,4-bromobenzyl triphenylphosphonium-bromide,4-bromobenzyl triphenyl-phosphonium bromide,4-bromobenzyl triphenyl phosphonium bromide PubChem CID: 2724858 IUPAC Name: [(4-bromophenyl)methyl]triphenylphosphanium bromide SMILES: [Br-].BrC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2724858
CAS	51044-13-4
Molecular Weight (g/mol)	512.23
MDL Number	MFCD00051922
SMILES	[Br-].BrC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Synonym	4-bromobenzyl triphenylphosphonium bromide,phosphonium, 4-bromophenyl methyl triphenyl-, bromide,4-bromophenyl methyl triphenylphosphanium bromide,acmc-20apnl,4-bromobenzyltriphenylphosphoniumbromide,4-bromobenzyl triphenylphosphoniumbromide,4-bromobenzyl triphenylphosphonium-bromide,4-bromobenzyl triphenyl-phosphonium bromide,4-bromobenzyl triphenyl phosphonium bromide
IUPAC Name	[(4-bromophenyl)methyl]triphenylphosphanium bromide
InChI Key	FQJYKXVQABPCRA-UHFFFAOYSA-M
Molecular Formula	C25H21Br2P

7,541

Butoconazole Nitrate 98.0+%, TCI America™

CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

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Specifications

PubChem CID	47471
CAS	64872-77-1
Molecular Weight (g/mol)	474.781
ChEBI	CHEBI:3241
MDL Number	MFCD00058159
SMILES	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
Synonym	1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate
IUPAC Name	1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
InChI Key	ZHPWRQIPPNZNML-UHFFFAOYSA-N
Molecular Formula	C19H18Cl3N3O3S

7,542

9,9-Bis(4-hydroxyphenyl)fluorene (purified by sublimation) 98.0+%, TCI America™

CAS: 3236-71-3 Molecular Formula: C25H18O2 Molecular Weight (g/mol): 350.42 MDL Number: MFCD00191392 InChI Key: YWFPGFJLYRKYJZ-UHFFFAOYSA-N PubChem CID: 76716 IUPAC Name: 4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol SMILES: OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(O)C=C1

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Specifications

PubChem CID	76716
CAS	3236-71-3
Molecular Weight (g/mol)	350.42
MDL Number	MFCD00191392
SMILES	OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(O)C=C1
IUPAC Name	4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol
InChI Key	YWFPGFJLYRKYJZ-UHFFFAOYSA-N
Molecular Formula	C25H18O2

7,543

Bexarotene 96.0+%, TCI America™

CAS: 153559-49-0 Molecular Formula: C24H28O2 Molecular Weight (g/mol): 348.49 MDL Number: MFCD00932428 InChI Key: NAVMQTYZDKMPEU-UHFFFAOYSA-N Synonym: bexarotene,targretin,targrexin,targretyn,targret,bexarotenum,bexarotene usan,bexaroteno,bexaroten,targretin-gel PubChem CID: 82146 ChEBI: CHEBI:50859 IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid SMILES: CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C

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Specifications

PubChem CID	82146
CAS	153559-49-0
Molecular Weight (g/mol)	348.49
ChEBI	CHEBI:50859
MDL Number	MFCD00932428
SMILES	CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C
Synonym	bexarotene,targretin,targrexin,targretyn,targret,bexarotenum,bexarotene usan,bexaroteno,bexaroten,targretin-gel
IUPAC Name	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
InChI Key	NAVMQTYZDKMPEU-UHFFFAOYSA-N
Molecular Formula	C24H28O2

7,544

Phenacetin 99.0+%, TCI America™

CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C

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Specifications

PubChem CID	4754
CAS	62-44-2
Molecular Weight (g/mol)	179.219
ChEBI	CHEBI:8050
SMILES	CCOC1=CC=C(C=C1)NC(=O)C
Synonym	phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin
IUPAC Name	N-(4-ethoxyphenyl)acetamide
InChI Key	CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

7,545

3-Mercaptobenzoic Acid 97.0+%, TCI America™

CAS: 4869-59-4 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00238636 InChI Key: RSFDFESMVAIVKO-UHFFFAOYSA-N PubChem CID: 95737 IUPAC Name: 3-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=CC(S)=C1

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Specifications

PubChem CID	95737
CAS	4869-59-4
Molecular Weight (g/mol)	154.18
MDL Number	MFCD00238636
SMILES	OC(=O)C1=CC=CC(S)=C1
IUPAC Name	3-sulfanylbenzoic acid
InChI Key	RSFDFESMVAIVKO-UHFFFAOYSA-N
Molecular Formula	C7H6O2S

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