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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10,396 – 10,410 of 78,434 results

10,396

6-Amino-m-cresol 98.0+%, TCI America™

CAS: 2835-98-5 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007693 InChI Key: HCPJEHJGFKWRFM-UHFFFAOYSA-N Synonym: 6-amino-m-cresol,2-hydroxy-4-methylaniline,phenol, 2-amino-5-methyl,4-amino-3-hydroxytoluene,2-hydroxy-p-toluidine,unii-qcg4es2a26,6-amino-3-cresol,3-methyl-6-aminophenol,6-amino-3-methylphenol,qcg4es2a26 PubChem CID: 76082 IUPAC Name: 2-amino-5-methylphenol SMILES: CC1=CC(=C(C=C1)N)O

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PubChem CID	76082
CAS	2835-98-5
Molecular Weight (g/mol)	123.155
MDL Number	MFCD00007693
SMILES	CC1=CC(=C(C=C1)N)O
Synonym	6-amino-m-cresol,2-hydroxy-4-methylaniline,phenol, 2-amino-5-methyl,4-amino-3-hydroxytoluene,2-hydroxy-p-toluidine,unii-qcg4es2a26,6-amino-3-cresol,3-methyl-6-aminophenol,6-amino-3-methylphenol,qcg4es2a26
IUPAC Name	2-amino-5-methylphenol
InChI Key	HCPJEHJGFKWRFM-UHFFFAOYSA-N
Molecular Formula	C7H9NO

10,397

2,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™

CAS: 35094-87-2 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00016592 InChI Key: WNCNWLVQSHZVKV-UHFFFAOYSA-N PubChem CID: 643387 IUPAC Name: 2,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C=C1O

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PubChem CID	643387
CAS	35094-87-2
Molecular Weight (g/mol)	154.12
MDL Number	MFCD00016592
SMILES	OC1=CC(O)=C(C=O)C=C1O
IUPAC Name	2,4,5-trihydroxybenzaldehyde
InChI Key	WNCNWLVQSHZVKV-UHFFFAOYSA-N
Molecular Formula	C7H6O4

10,398

2-Fluoro-4-nitrophenol 97.0+%, TCI America™

CAS: 403-19-0 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00051970 InChI Key: ORPHLVJBJOCHBR-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrophenol,phenol, 2-fluoro-4-nitro,3-fluoro-4-hydroxynitrobenzene,2-fluoro-4-nitro-phenol,pubchem4122,4-nitro-2-fluorophenol,2-fluoro-4-nitro phenol,acmc-1cb9t,ksc493s7t PubChem CID: 9825 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)O

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PubChem CID	9825
CAS	403-19-0
Molecular Weight (g/mol)	157.1
MDL Number	MFCD00051970
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)O
Synonym	2-fluoro-4-nitrophenol,phenol, 2-fluoro-4-nitro,3-fluoro-4-hydroxynitrobenzene,2-fluoro-4-nitro-phenol,pubchem4122,4-nitro-2-fluorophenol,2-fluoro-4-nitro phenol,acmc-1cb9t,ksc493s7t
InChI Key	ORPHLVJBJOCHBR-UHFFFAOYSA-N
Molecular Formula	C6H4FNO3

10,399

2,7-Dibromo-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™

CAS: 171408-84-7 Molecular Formula: C25H14Br2 Molecular Weight (g/mol): 474.20 MDL Number: MFCD08704218 InChI Key: UPJLZKCEPFAKSH-UHFFFAOYSA-N PubChem CID: 15544767 IUPAC Name: 2,7-dibromo-9,9'-spirobi[fluorene] SMILES: BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	15544767
CAS	171408-84-7
Molecular Weight (g/mol)	474.20
MDL Number	MFCD08704218
SMILES	BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12
IUPAC Name	2,7-dibromo-9,9'-spirobi[fluorene]
InChI Key	UPJLZKCEPFAKSH-UHFFFAOYSA-N
Molecular Formula	C25H14Br2

10,400

(1S,2R)-2-(Dibutylamino)-1-phenyl-1-propanol 98.0+%, TCI America™

CAS: 114389-70-7 Molecular Formula: C17H29NO Molecular Weight (g/mol): 263.425 MDL Number: MFCD00142695 InChI Key: BRRGNOFUBFINSX-NVXWUHKLSA-N Synonym: (-)-alpha-[1-(Dibutylamino)ethyl]benzyl Alcohol, (-)-N,N-Dibutylnorephedrin PubChem CID: 11003877 IUPAC Name: (1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol SMILES: CCCCN(CCCC)C(C)C(C1=CC=CC=C1)O

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Specifications

PubChem CID	11003877
CAS	114389-70-7
Molecular Weight (g/mol)	263.425
MDL Number	MFCD00142695
SMILES	CCCCN(CCCC)C(C)C(C1=CC=CC=C1)O
Synonym	(-)-alpha-[1-(Dibutylamino)ethyl]benzyl Alcohol, (-)-N,N-Dibutylnorephedrin
IUPAC Name	(1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol
InChI Key	BRRGNOFUBFINSX-NVXWUHKLSA-N
Molecular Formula	C17H29NO

10,401

4-Amino-3-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 327-74-2 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00275473 InChI Key: MWLZJOBGDXBMBP-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethyl benzonitrile,2-amino-5-cyanobenzotrifluoride,2-trifluoromethyl-4-cyanoaniline,4-cyano-2-trifluoromethyl aniline,2-amino-5cyano-trifluorotoluene,3-trifluoromethyl-4-aminobenzonitrile,benzonitrile, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl-benzonitrile,4-amino-3-trifluoromethyl benzenecarbonitrile,4-amino-3-trifluoromethylbenzonitrile;2-amino-5-cyanobenzotrifluoride PubChem CID: 2779488 IUPAC Name: 4-amino-3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)N

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Specifications

PubChem CID	2779488
CAS	327-74-2
Molecular Weight (g/mol)	186.137
MDL Number	MFCD00275473
SMILES	C1=CC(=C(C=C1C#N)C(F)(F)F)N
Synonym	4-amino-3-trifluoromethyl benzonitrile,2-amino-5-cyanobenzotrifluoride,2-trifluoromethyl-4-cyanoaniline,4-cyano-2-trifluoromethyl aniline,2-amino-5cyano-trifluorotoluene,3-trifluoromethyl-4-aminobenzonitrile,benzonitrile, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl-benzonitrile,4-amino-3-trifluoromethyl benzenecarbonitrile,4-amino-3-trifluoromethylbenzonitrile;2-amino-5-cyanobenzotrifluoride
IUPAC Name	4-amino-3-(trifluoromethyl)benzonitrile
InChI Key	MWLZJOBGDXBMBP-UHFFFAOYSA-N
Molecular Formula	C8H5F3N2

10,402

4-Cyanobenzyl Bromide 98.0+%, TCI America™

CAS: 17201-43-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001829 InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N Synonym: 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl PubChem CID: 86996 IUPAC Name: 4-(bromomethyl)benzonitrile SMILES: C1=CC(=CC=C1CBr)C#N

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PubChem CID	86996
CAS	17201-43-3
Molecular Weight (g/mol)	196.047
MDL Number	MFCD00001829
SMILES	C1=CC(=CC=C1CBr)C#N
Synonym	4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl
IUPAC Name	4-(bromomethyl)benzonitrile
InChI Key	UMLFTCYAQPPZER-UHFFFAOYSA-N
Molecular Formula	C8H6BrN

10,403

Picramic Acid (wetted with ca. 25% Water) (unit weight on dry weight basis) 98.0+%, TCI America™

CAS: 96-91-3 Molecular Formula: C6H5N3O5 Molecular Weight (g/mol): 199.122 MDL Number: MFCD00070534 InChI Key: QXYMVUZOGFVPGH-UHFFFAOYSA-N Synonym: 2-Amino-4,6-dinitrophenol PubChem CID: 4921319 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-]

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Specifications

PubChem CID	4921319
CAS	96-91-3
Molecular Weight (g/mol)	199.122
MDL Number	MFCD00070534
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)N)[N+](=O)[O-]
Synonym	2-Amino-4,6-dinitrophenol
InChI Key	QXYMVUZOGFVPGH-UHFFFAOYSA-N
Molecular Formula	C6H5N3O5

10,404

4,4'-Dichloro-trans-stilbene 98.0+%, TCI America™

CAS: 1657-56-3 Molecular Formula: C14H10Cl2 Molecular Weight (g/mol): 249.134 InChI Key: WELCIURRBCOJDX-OWOJBTEDSA-N PubChem CID: 5352400 IUPAC Name: 1-chloro-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)Cl)Cl

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Specifications

PubChem CID	5352400
CAS	1657-56-3
Molecular Weight (g/mol)	249.134
SMILES	C1=CC(=CC=C1C=CC2=CC=C(C=C2)Cl)Cl
IUPAC Name	1-chloro-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
InChI Key	WELCIURRBCOJDX-OWOJBTEDSA-N
Molecular Formula	C14H10Cl2

10,405

2,4,6-Trimethylbenzyl Chloride 98.0+%, TCI America™

CAS: 1585-16-6 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000901 InChI Key: UNRGEIXQCZHICP-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene PubChem CID: 74108 IUPAC Name: 2-(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1

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PubChem CID	74108
CAS	1585-16-6
Molecular Weight (g/mol)	168.66
MDL Number	MFCD00000901
SMILES	CC1=CC(C)=C(CCl)C(C)=C1
Synonym	2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene
IUPAC Name	2-(chloromethyl)-1,3,5-trimethylbenzene
InChI Key	UNRGEIXQCZHICP-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

10,406

Diphenyl Oxalate 98.0+%, TCI America™

CAS: 3155-16-6 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00059682 InChI Key: ULOZDEVJRTYKFE-UHFFFAOYSA-N Synonym: Oxalic Acid Diphenyl Ester PubChem CID: 18475 IUPAC Name: diphenyl oxalate SMILES: C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2

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Specifications

PubChem CID	18475
CAS	3155-16-6
Molecular Weight (g/mol)	242.23
MDL Number	MFCD00059682
SMILES	C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2
Synonym	Oxalic Acid Diphenyl Ester
IUPAC Name	diphenyl oxalate
InChI Key	ULOZDEVJRTYKFE-UHFFFAOYSA-N
Molecular Formula	C14H10O4

10,407

1,2-Bis(phenylthio)ethane 98.0+%, TCI America™

CAS: 622-20-8 Molecular Formula: C14H14S2 Molecular Weight (g/mol): 246.39 MDL Number: MFCD00014085 InChI Key: MHCVYAFXPIMYRD-UHFFFAOYSA-N Synonym: 1,2-bis phenylthio ethane,ethane, 1,2-bis phenylthio,bis phenylthio ethane,1,1'-ethane-1,2-diylbis thio dibenzene,2-phenylsulfanyl ethyl sulfanyl benzene,benzene, 1,1'-1,2-ethanediylbis thio bis,1,1'-1,2-ethanediylbis thio bis-benzene,1,1'-ethane-1,2-diylbis thio bisbenzene,2-phenylthioethylthio benzene PubChem CID: 69317 IUPAC Name: {[2-(phenylsulfanyl)ethyl]sulfanyl}benzene SMILES: C(CSC1=CC=CC=C1)SC1=CC=CC=C1

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PubChem CID	69317
CAS	622-20-8
Molecular Weight (g/mol)	246.39
MDL Number	MFCD00014085
SMILES	C(CSC1=CC=CC=C1)SC1=CC=CC=C1
Synonym	1,2-bis phenylthio ethane,ethane, 1,2-bis phenylthio,bis phenylthio ethane,1,1'-ethane-1,2-diylbis thio dibenzene,2-phenylsulfanyl ethyl sulfanyl benzene,benzene, 1,1'-1,2-ethanediylbis thio bis,1,1'-1,2-ethanediylbis thio bis-benzene,1,1'-ethane-1,2-diylbis thio bisbenzene,2-phenylthioethylthio benzene
IUPAC Name	{[2-(phenylsulfanyl)ethyl]sulfanyl}benzene
InChI Key	MHCVYAFXPIMYRD-UHFFFAOYSA-N
Molecular Formula	C14H14S2

10,408

4-Chlorobenzyl Bromide 98.0+%, TCI America™

CAS: 622-95-7 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040714 InChI Key: KQNBRMUBPRGXSL-UHFFFAOYSA-N Synonym: 4-chlorobenzyl bromide,1-bromomethyl-4-chlorobenzene,p-chlorobenzyl bromide,4-chlorobenzylbromide,benzene, 1-bromomethyl-4-chloro,alpha-bromo-4-chlorotoluene,4cbb,p-chlorobenzylbromide,4-chloro-benzylbromide PubChem CID: 69329 IUPAC Name: 1-(bromomethyl)-4-chlorobenzene SMILES: ClC1=CC=C(CBr)C=C1

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PubChem CID	69329
CAS	622-95-7
Molecular Weight (g/mol)	205.48
MDL Number	MFCD00040714
SMILES	ClC1=CC=C(CBr)C=C1
Synonym	4-chlorobenzyl bromide,1-bromomethyl-4-chlorobenzene,p-chlorobenzyl bromide,4-chlorobenzylbromide,benzene, 1-bromomethyl-4-chloro,alpha-bromo-4-chlorotoluene,4cbb,p-chlorobenzylbromide,4-chloro-benzylbromide
IUPAC Name	1-(bromomethyl)-4-chlorobenzene
InChI Key	KQNBRMUBPRGXSL-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

10,409

5-Fluoro-2-nitrobenzotrifluoride 98.0+%, TCI America™

CAS: 393-09-9 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00039741 InChI Key: WMQOSURXFLBTPC-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol PubChem CID: 223094 IUPAC Name: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]

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Specifications

PubChem CID	223094
CAS	393-09-9
Molecular Weight (g/mol)	209.1
MDL Number	MFCD00039741
SMILES	C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
Synonym	5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol
IUPAC Name	4-fluoro-1-nitro-2-(trifluoromethyl)benzene
InChI Key	WMQOSURXFLBTPC-UHFFFAOYSA-N
Molecular Formula	C7H3F4NO2

10,410

2-Aminobenzyl Alcohol 98.0+%, TCI America™

CAS: 5344-90-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007749 InChI Key: VYFOAVADNIHPTR-UHFFFAOYSA-N Synonym: 2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline PubChem CID: 21439 IUPAC Name: (2-aminophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)N

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Specifications

PubChem CID	21439
CAS	5344-90-1
Molecular Weight (g/mol)	123.155
MDL Number	MFCD00007749
SMILES	C1=CC=C(C(=C1)CO)N
Synonym	2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline
IUPAC Name	(2-aminophenyl)methanol
InChI Key	VYFOAVADNIHPTR-UHFFFAOYSA-N
Molecular Formula	C7H9NO

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