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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3,631 – 3,645 of 79,012 results

3,631

2-Methylbenzyl chloride, 98+%

CAS: 552-45-4 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000899 InChI Key: VQRBXYBBGHOGFT-UHFFFAOYSA-N Synonym: 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw PubChem CID: 11093 IUPAC Name: 1-(chloromethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CCl

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Specifications

PubChem CID	11093
CAS	552-45-4
Molecular Weight (g/mol)	140.61
MDL Number	MFCD00000899
SMILES	CC1=CC=CC=C1CCl
Synonym	2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw
IUPAC Name	1-(chloromethyl)-2-methylbenzene
InChI Key	VQRBXYBBGHOGFT-UHFFFAOYSA-N
Molecular Formula	C8H9Cl

3,632

4-Fluorophenyl sulfone, 99%

CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1

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Specifications

PubChem CID	67842
CAS	383-29-9
Molecular Weight (g/mol)	254.25
MDL Number	MFCD00000350
SMILES	FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
Synonym	4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone
IUPAC Name	1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
InChI Key	PLVUIVUKKJTSDM-UHFFFAOYSA-N
Molecular Formula	C12H8F2O2S

3,633

trans-Styrylacetic acid, 96%

CAS: 1914-58-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002783 InChI Key: PSCXFXNEYIHJST-QPJJXVBHSA-N Synonym: trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid PubChem CID: 5370625 SMILES: OC(=O)C\C=C\C1=CC=CC=C1

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Specifications

PubChem CID	5370625
CAS	1914-58-5
Molecular Weight (g/mol)	162.19
MDL Number	MFCD00002783
SMILES	OC(=O)C\C=C\C1=CC=CC=C1
Synonym	trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid
InChI Key	PSCXFXNEYIHJST-QPJJXVBHSA-N
Molecular Formula	C10H10O2

3,634

4-Fluorobenzaldehyde, 98+%

CAS: 459-57-4 Molecular Formula: C₇H₅FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F

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Specifications

PubChem CID	68023
CAS	459-57-4
Molecular Weight (g/mol)	124.11
MDL Number	MFCD00003378
SMILES	C1=CC(=CC=C1C=O)F
Synonym	p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde
IUPAC Name	4-fluorobenzaldehyde
InChI Key	UOQXIWFBQSVDPP-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO

3,635

Tolylene 2,4-diisocyanate, 75%, technical

CAS: 584-84-9 Molecular Formula: C₉H₆N₂O₂ Molecular Weight (g/mol): 174.16 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O

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Specifications

PubChem CID	11443
CAS	584-84-9
Molecular Weight (g/mol)	174.16
ChEBI	CHEBI:53556
SMILES	CC1=C(C=C(C=C1)N=C=O)N=C=O
Synonym	2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate
IUPAC Name	2,4-diisocyanato-1-methylbenzene
InChI Key	DVKJHBMWWAPEIU-UHFFFAOYSA-N
Molecular Formula	C₉H₆N₂O₂

3,636

beta-Tetralone, 95%

CAS: 530-93-8 Molecular Formula: C₁₀H₁₀O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001727 InChI Key: KCKZIWSINLBROE-UHFFFAOYSA-N Synonym: 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene PubChem CID: 68266 IUPAC Name: 3,4-dihydro-1H-naphthalen-2-one SMILES: C1CC2=CC=CC=C2CC1=O

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Specifications

PubChem CID	68266
CAS	530-93-8
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00001727
SMILES	C1CC2=CC=CC=C2CC1=O
Synonym	2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene
IUPAC Name	3,4-dihydro-1H-naphthalen-2-one
InChI Key	KCKZIWSINLBROE-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O

3,637

4-Methylbenzotrifluoride, 98%

CAS: 6140-17-6 Molecular Formula: C₈H₇F₃ Molecular Weight (g/mol): 160.14 MDL Number: MFCD00075476 InChI Key: LRLRAYMYEXQKID-UHFFFAOYSA-N Synonym: 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene PubChem CID: 80230 IUPAC Name: 1-methyl-4-(trifluoromethyl)benzene SMILES: CC1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	80230
CAS	6140-17-6
Molecular Weight (g/mol)	160.14
MDL Number	MFCD00075476
SMILES	CC1=CC=C(C=C1)C(F)(F)F
Synonym	4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene
IUPAC Name	1-methyl-4-(trifluoromethyl)benzene
InChI Key	LRLRAYMYEXQKID-UHFFFAOYSA-N
Molecular Formula	C₈H₇F₃

3,638

p-Toluenethiol, 98%

CAS: 106-45-6 Molecular Formula: C₇H₈S Molecular Weight (g/mol): 124.2 MDL Number: MFCD00004851 InChI Key: WLHCBQAPPJAULW-UHFFFAOYSA-N Synonym: p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol PubChem CID: 7811 IUPAC Name: 4-methylbenzenethiol SMILES: CC1=CC=C(C=C1)S

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Specifications

PubChem CID	7811
CAS	106-45-6
Molecular Weight (g/mol)	124.2
MDL Number	MFCD00004851
SMILES	CC1=CC=C(C=C1)S
Synonym	p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol
IUPAC Name	4-methylbenzenethiol
InChI Key	WLHCBQAPPJAULW-UHFFFAOYSA-N
Molecular Formula	C₇H₈S

3,639

2,5-Dichlorobenzoic acid, 97%

CAS: 50-79-3 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002416 InChI Key: QVTQYSFCFOGITD-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 PubChem CID: 5784 IUPAC Name: 2,5-dichlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	5784
CAS	50-79-3
Molecular Weight (g/mol)	191.01
MDL Number	MFCD00002416
SMILES	OC(=O)C1=CC(Cl)=CC=C1Cl
Synonym	benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978
IUPAC Name	2,5-dichlorobenzoic acid
InChI Key	QVTQYSFCFOGITD-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

3,640

Iodopentafluorobenzene, 99%, stabilised over copper

CAS: 827-15-6 Molecular Formula: C₆F₅I Molecular Weight (g/mol): 293.96 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F

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Specifications

PubChem CID	70008
CAS	827-15-6
Molecular Weight (g/mol)	293.96
SMILES	C1(=C(C(=C(C(=C1F)F)I)F)F)F
Synonym	iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982
IUPAC Name	1,2,3,4,5-pentafluoro-6-iodobenzene
InChI Key	OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular Formula	C₆F₅I

3,641

2-Aminoanthracene, 94%

CAS: 613-13-8 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00003582 InChI Key: YCSBALJAGZKWFF-UHFFFAOYSA-N Synonym: 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 PubChem CID: 11937 ChEBI: CHEBI:34260 IUPAC Name: anthracen-2-amine SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N

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Specifications

PubChem CID	11937
CAS	613-13-8
Molecular Weight (g/mol)	193.249
ChEBI	CHEBI:34260
MDL Number	MFCD00003582
SMILES	C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
Synonym	2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458
IUPAC Name	anthracen-2-amine
InChI Key	YCSBALJAGZKWFF-UHFFFAOYSA-N
Molecular Formula	C14H11N

3,642

1-Bromo-4-isopropylbenzene, 97%

CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	11462
CAS	586-61-8
Molecular Weight (g/mol)	199.09
MDL Number	MFCD00039159
SMILES	CC(C)C1=CC=C(Br)C=C1
Synonym	1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane
IUPAC Name	1-bromo-4-propan-2-ylbenzene
InChI Key	MOZHUOIQYVYEPN-UHFFFAOYSA-N
Molecular Formula	C9H11Br

3,643

4-Chloro-3-nitrophenol, 99%

CAS: 610-78-6 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.552 MDL Number: MFCD00043546 InChI Key: JUIKCULGDIZNDI-UHFFFAOYSA-N PubChem CID: 69127 IUPAC Name: 4-chloro-3-nitrophenol SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])Cl

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Specifications

PubChem CID	69127
CAS	610-78-6
Molecular Weight (g/mol)	173.552
MDL Number	MFCD00043546
SMILES	C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
IUPAC Name	4-chloro-3-nitrophenol
InChI Key	JUIKCULGDIZNDI-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO3

3,644

(1-Tetradecyl)triphenylphosphonium bromide, 97%

CAS: 25791-20-2 Molecular Formula: C32H44BrP Molecular Weight (g/mol): 539.58 MDL Number: MFCD00051857 InChI Key: FUMBGFNGBMYHGH-UHFFFAOYSA-M Synonym: triphenyl tetradecyl phosphonium bromide,myristyltriphenylphosphonium bromide,1-tetradecyl triphenylphosphonium bromide,triphenyl tetradecyl phosphanium bromide,tetradecyl triphenylphosphonium bromide,acmc-209gmk,tetradecyltriphenylphosphoniumbromide,triphenyl tetradecyl phosphoniumbromide,n-tetradecyltriphenylphosphonium bromide,phosphonium,triphenyltetradecyl-, bromide 1:1 PubChem CID: 3084442 IUPAC Name: triphenyl(tetradecyl)phosphanium;bromide SMILES: [Br-].CCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3084442
CAS	25791-20-2
Molecular Weight (g/mol)	539.58
MDL Number	MFCD00051857
SMILES	[Br-].CCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenyl tetradecyl phosphonium bromide,myristyltriphenylphosphonium bromide,1-tetradecyl triphenylphosphonium bromide,triphenyl tetradecyl phosphanium bromide,tetradecyl triphenylphosphonium bromide,acmc-209gmk,tetradecyltriphenylphosphoniumbromide,triphenyl tetradecyl phosphoniumbromide,n-tetradecyltriphenylphosphonium bromide,phosphonium,triphenyltetradecyl-, bromide 1:1
IUPAC Name	triphenyl(tetradecyl)phosphanium;bromide
InChI Key	FUMBGFNGBMYHGH-UHFFFAOYSA-M
Molecular Formula	C32H44BrP

3,645

4-Bromobenzeneboronic acid, 97+%

CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	79599
CAS	5467-74-3
Molecular Weight (g/mol)	200.83
MDL Number	MFCD00002104
SMILES	OB(O)C1=CC=C(Br)C=C1
Synonym	4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid
IUPAC Name	(4-bromophenyl)boronic acid
InChI Key	QBLFZIBJXUQVRF-UHFFFAOYSA-N
Molecular Formula	C6H6BBrO2

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