Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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6,136 – 6,150 of 57,366 results

6,136

Dicyclohexyl Phthalate 99.0+%, TCI America™

CAS: 84-61-7 Molecular Formula: C20H26O4 Molecular Weight (g/mol): 330.424 MDL Number: MFCD00003849 InChI Key: VOWAEIGWURALJQ-UHFFFAOYSA-N Synonym: dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190 PubChem CID: 6777 ChEBI: CHEBI:34693 IUPAC Name: dicyclohexyl benzene-1,2-dicarboxylate SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3

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Specifications

PubChem CID	6777
CAS	84-61-7
Molecular Weight (g/mol)	330.424
ChEBI	CHEBI:34693
MDL Number	MFCD00003849
SMILES	C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
Synonym	dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190
IUPAC Name	dicyclohexyl benzene-1,2-dicarboxylate
InChI Key	VOWAEIGWURALJQ-UHFFFAOYSA-N
Molecular Formula	C20H26O4

6,137

2-Iodo-4-nitroaniline 98.0+%, TCI America™

CAS: 6293-83-0 Molecular Formula: C6H5IN2O2 Molecular Weight (g/mol): 264.02 MDL Number: MFCD00955758 InChI Key: LOLSEMNGXKAZBZ-UHFFFAOYSA-N PubChem CID: 222629 IUPAC Name: 2-iodo-4-nitroaniline SMILES: NC1=CC=C(C=C1I)[N+]([O-])=O

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Specifications

PubChem CID	222629
CAS	6293-83-0
Molecular Weight (g/mol)	264.02
MDL Number	MFCD00955758
SMILES	NC1=CC=C(C=C1I)[N+]([O-])=O
IUPAC Name	2-iodo-4-nitroaniline
InChI Key	LOLSEMNGXKAZBZ-UHFFFAOYSA-N
Molecular Formula	C6H5IN2O2

6,138

Methyl 4-Chloro-2-nitrobenzoate 97.0+%, TCI America™

CAS: 42087-80-9 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00007213 InChI Key: JWOSXVMUUBWGOL-UHFFFAOYSA-N Synonym: 4-Chloro-2-nitrobenzoic Acid Methyl Ester PubChem CID: 39135 IUPAC Name: methyl 4-chloro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	39135
CAS	42087-80-9
Molecular Weight (g/mol)	215.589
MDL Number	MFCD00007213
SMILES	COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Synonym	4-Chloro-2-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 4-chloro-2-nitrobenzoate
InChI Key	JWOSXVMUUBWGOL-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

6,139

Isopropyl Salicylate 99.0+%, TCI America™

CAS: 607-85-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Synonym: isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	11838
CAS	607-85-2
Molecular Weight (g/mol)	180.203
ChEBI	CHEBI:38703
MDL Number	MFCD00035703
SMILES	CC(C)OC(=O)C1=CC=CC=C1O
Synonym	isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate
IUPAC Name	propan-2-yl 2-hydroxybenzoate
InChI Key	YEULQIJMIOWCHB-UHFFFAOYSA-N
Molecular Formula	C10H12O3

6,140

Methyl 3-Iodo-4-methylbenzoate 98.0+%, TCI America™

CAS: 90347-66-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD00230583 InChI Key: NKMHAOTZPFVSPC-UHFFFAOYSA-N Synonym: 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r PubChem CID: 13614033 IUPAC Name: methyl 3-iodo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)I

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Specifications

PubChem CID	13614033
CAS	90347-66-3
Molecular Weight (g/mol)	276.073
MDL Number	MFCD00230583
SMILES	CC1=C(C=C(C=C1)C(=O)OC)I
Synonym	3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r
IUPAC Name	methyl 3-iodo-4-methylbenzoate
InChI Key	NKMHAOTZPFVSPC-UHFFFAOYSA-N
Molecular Formula	C9H9IO2

6,141

Butenafine Hydrochloride 98.0+%, TCI America™

CAS: 101827-46-7 Molecular Formula: C23H28ClN Molecular Weight (g/mol): 353.934 MDL Number: MFCD00917064 InChI Key: LJBSAUIFGPSHCN-UHFFFAOYSA-N PubChem CID: 443867 ChEBI: CHEBI:31325 IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl

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Specifications

PubChem CID	443867
CAS	101827-46-7
Molecular Weight (g/mol)	353.934
ChEBI	CHEBI:31325
MDL Number	MFCD00917064
SMILES	CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
IUPAC Name	1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
InChI Key	LJBSAUIFGPSHCN-UHFFFAOYSA-N
Molecular Formula	C23H28ClN

6,142

2,5-Difluorobenzoyl Chloride 98.0+%, TCI America™

CAS: 35730-09-7 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00009929 InChI Key: RLRUKKDFNWXXRT-UHFFFAOYSA-N PubChem CID: 588082 IUPAC Name: 2,5-difluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)C(=O)Cl)F

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Specifications

PubChem CID	588082
CAS	35730-09-7
Molecular Weight (g/mol)	176.547
MDL Number	MFCD00009929
SMILES	C1=CC(=C(C=C1F)C(=O)Cl)F
IUPAC Name	2,5-difluorobenzoyl chloride
InChI Key	RLRUKKDFNWXXRT-UHFFFAOYSA-N
Molecular Formula	C7H3ClF2O

6,143

4-Chloro-2-fluorotoluene 98.0+%, TCI America™

CAS: 452-75-5 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.57 MDL Number: MFCD00000571 InChI Key: MKFCYQTVSDCXAQ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorotoluene,2-fluoro-4-chlorotoluene,benzene, 4-chloro-2-fluoro-1-methyl,pubchem3437,acmc-209k1n,ksc493m8j,mkfcyqtvsdcxaq-uhfffaoysa,4-chloro-2-fluoro-1-methyl-benzene PubChem CID: 520630 IUPAC Name: 4-chloro-2-fluoro-1-methylbenzene SMILES: CC1=CC=C(Cl)C=C1F

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Specifications

PubChem CID	520630
CAS	452-75-5
Molecular Weight (g/mol)	144.57
MDL Number	MFCD00000571
SMILES	CC1=CC=C(Cl)C=C1F
Synonym	4-chloro-2-fluorotoluene,2-fluoro-4-chlorotoluene,benzene, 4-chloro-2-fluoro-1-methyl,pubchem3437,acmc-209k1n,ksc493m8j,mkfcyqtvsdcxaq-uhfffaoysa,4-chloro-2-fluoro-1-methyl-benzene
IUPAC Name	4-chloro-2-fluoro-1-methylbenzene
InChI Key	MKFCYQTVSDCXAQ-UHFFFAOYSA-N
Molecular Formula	C7H6ClF

6,144

(S)-(-)-2-Amino-3,3-dimethyl-1,1-diphenyl-1-butanol 98.0+%, TCI America™

CAS: 144054-70-6 Molecular Formula: C18H23NO Molecular Weight (g/mol): 269.388 MDL Number: MFCD03427198 InChI Key: HZIHDWNOPKIOCK-INIZCTEOSA-N PubChem CID: 10333308 IUPAC Name: (2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol SMILES: CC(C)(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

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Specifications

PubChem CID	10333308
CAS	144054-70-6
Molecular Weight (g/mol)	269.388
MDL Number	MFCD03427198
SMILES	CC(C)(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
IUPAC Name	(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol
InChI Key	HZIHDWNOPKIOCK-INIZCTEOSA-N
Molecular Formula	C18H23NO

6,145

Isopropyl Benzoate 99.0+%, TCI America™

CAS: 939-48-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00048289 InChI Key: FEXQDZTYJVXMOS-UHFFFAOYSA-N Synonym: Benzoic Acid Isopropyl Ester PubChem CID: 13654 IUPAC Name: propan-2-yl benzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	13654
CAS	939-48-0
Molecular Weight (g/mol)	164.204
MDL Number	MFCD00048289
SMILES	CC(C)OC(=O)C1=CC=CC=C1
Synonym	Benzoic Acid Isopropyl Ester
IUPAC Name	propan-2-yl benzoate
InChI Key	FEXQDZTYJVXMOS-UHFFFAOYSA-N
Molecular Formula	C10H12O2

6,146

2,4,6-Tri-tert-butylnitrosobenzene 98.0+%, TCI America™

CAS: 24973-59-9 Molecular Formula: C18H29NO Molecular Weight (g/mol): 275.44 MDL Number: MFCD00008817 InChI Key: OSICDPWAPKXXHT-UHFFFAOYSA-N PubChem CID: 90676 IUPAC Name: 1,3,5-tri-tert-butyl-2-nitrosobenzene SMILES: CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	90676
CAS	24973-59-9
Molecular Weight (g/mol)	275.44
MDL Number	MFCD00008817
SMILES	CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name	1,3,5-tri-tert-butyl-2-nitrosobenzene
InChI Key	OSICDPWAPKXXHT-UHFFFAOYSA-N
Molecular Formula	C18H29NO

6,147

1,1,2,2-Tetrakis(4-methoxyphenyl)-1,2-ethanediol 96.0+%, TCI America™

CAS: 19920-00-4 Molecular Formula: C30H30O6 Molecular Weight (g/mol): 486.564 MDL Number: MFCD00185172 InChI Key: GJSYWZLTIIFQTD-UHFFFAOYSA-N Synonym: 1,1,2,2-Tetra-p-anisyl-1,2-ethanediol PubChem CID: 3456938 IUPAC Name: 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O)O

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Specifications

PubChem CID	3456938
CAS	19920-00-4
Molecular Weight (g/mol)	486.564
MDL Number	MFCD00185172
SMILES	COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O)O
Synonym	1,1,2,2-Tetra-p-anisyl-1,2-ethanediol
IUPAC Name	1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol
InChI Key	GJSYWZLTIIFQTD-UHFFFAOYSA-N
Molecular Formula	C30H30O6

6,148

5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide 96.0+%, TCI America™

CAS: 135-63-7 Molecular Formula: C18H14ClNO2 Molecular Weight (g/mol): 311.765 MDL Number: MFCD00021636 InChI Key: XZOACPDZZYNJER-UHFFFAOYSA-N Synonym: N-(5-Chloro-o-tolyl)-3-hydroxy-2-naphthamide, Naphthol AS-KB, Azoic Coupling Component 21, 5′C-Chloro-N-(3-hydroxy-2-naphthoyl)-o-toluidine PubChem CID: 67275 IUPAC Name: N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O

Pricing & Availability
Specifications

PubChem CID	67275
CAS	135-63-7
Molecular Weight (g/mol)	311.765
MDL Number	MFCD00021636
SMILES	CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O
Synonym	N-(5-Chloro-o-tolyl)-3-hydroxy-2-naphthamide, Naphthol AS-KB, Azoic Coupling Component 21, 5′C-Chloro-N-(3-hydroxy-2-naphthoyl)-o-toluidine
IUPAC Name	N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
InChI Key	XZOACPDZZYNJER-UHFFFAOYSA-N
Molecular Formula	C18H14ClNO2

6,149

4-Amino-2-fluorobenzotrifluoride 98.0+%, TCI America™

CAS: 69411-68-3 Molecular Formula: C7H5F4N Molecular Weight (g/mol): 179.12 MDL Number: MFCD00190120 InChI Key: CRRVZRDISHOQQL-UHFFFAOYSA-N Synonym: 4-amino-2-fluorobenzotrifluoride,3-fluoro-4-trifluoromethyl aniline,2-fluoro-4-amino benzotrifluoride,benzenamine, 3-fluoro-4-trifluoromethyl,3-fluoro-4-trifluoromethyl-phenylamine,3-fluoro-4-trifluoromethyl phenylamine,pubchem1631,4-amino,2-fluorobenzotrifluoride,3-fluoro-4-trifluoromethyl-aniline PubChem CID: 2735914 IUPAC Name: 3-fluoro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C(F)=C1)C(F)(F)F

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Specifications

PubChem CID	2735914
CAS	69411-68-3
Molecular Weight (g/mol)	179.12
MDL Number	MFCD00190120
SMILES	NC1=CC=C(C(F)=C1)C(F)(F)F
Synonym	4-amino-2-fluorobenzotrifluoride,3-fluoro-4-trifluoromethyl aniline,2-fluoro-4-amino benzotrifluoride,benzenamine, 3-fluoro-4-trifluoromethyl,3-fluoro-4-trifluoromethyl-phenylamine,3-fluoro-4-trifluoromethyl phenylamine,pubchem1631,4-amino,2-fluorobenzotrifluoride,3-fluoro-4-trifluoromethyl-aniline
IUPAC Name	3-fluoro-4-(trifluoromethyl)aniline
InChI Key	CRRVZRDISHOQQL-UHFFFAOYSA-N
Molecular Formula	C7H5F4N

6,150

5-(4-Bromophenyl)-2-furaldehyde 94.0+%, TCI America™

CAS: 20005-42-9 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 MDL Number: MFCD00239387 InChI Key: QRTAOOSYSVHQGT-UHFFFAOYSA-N Synonym: 5-4-bromophenyl furan-2-carbaldehyde,5-4-bromophenyl furfural,5-4-bromophenyl-2-furaldehyde,5-4-bromophenyl-2-furancarboxaldehyde,5-4-bromophenyl-2-furancarbaldehyde,2-furancarboxaldehyde, 5-4-bromophenyl,5-4-bromo-phenyl-furan-2-carbaldehyde,5-p-bromophenyl furancarboxaldehyde,5-p-bromophenyl furfural,5-4-bromo-phenyl-furfural PubChem CID: 619577 IUPAC Name: 5-(4-bromophenyl)furan-2-carbaldehyde SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=O)Br

Pricing & Availability
Specifications

PubChem CID	619577
CAS	20005-42-9
Molecular Weight (g/mol)	251.079
MDL Number	MFCD00239387
SMILES	C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
Synonym	5-4-bromophenyl furan-2-carbaldehyde,5-4-bromophenyl furfural,5-4-bromophenyl-2-furaldehyde,5-4-bromophenyl-2-furancarboxaldehyde,5-4-bromophenyl-2-furancarbaldehyde,2-furancarboxaldehyde, 5-4-bromophenyl,5-4-bromo-phenyl-furan-2-carbaldehyde,5-p-bromophenyl furancarboxaldehyde,5-p-bromophenyl furfural,5-4-bromo-phenyl-furfural
IUPAC Name	5-(4-bromophenyl)furan-2-carbaldehyde
InChI Key	QRTAOOSYSVHQGT-UHFFFAOYSA-N
Molecular Formula	C11H7BrO2

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