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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1,546 – 1,560 of 119,769 results

1,546

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2-Chlorostyrene, 95%, stab. with 0.1% 4-tert-butylcatechol

CAS: 2039-87-4 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000567 InChI Key: ISRGONDNXBCDBM-UHFFFAOYSA-N Synonym: 2-chlorostyrene,1-chloro-2-vinylbenzene,o-chlorostyrene,benzene, 1-chloro-2-ethenyl,styrene, o-chloro,ortho-chlorostyrene,stryene, o-chloro,styrene, 2-chloro,unii-za43r4q315,ccris 4598 PubChem CID: 14906 IUPAC Name: 1-chloro-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Cl

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PubChem CID	14906
CAS	2039-87-4
Molecular Weight (g/mol)	138.594
MDL Number	MFCD00000567
SMILES	C=CC1=CC=CC=C1Cl
Synonym	2-chlorostyrene,1-chloro-2-vinylbenzene,o-chlorostyrene,benzene, 1-chloro-2-ethenyl,styrene, o-chloro,ortho-chlorostyrene,stryene, o-chloro,styrene, 2-chloro,unii-za43r4q315,ccris 4598
IUPAC Name	1-chloro-2-ethenylbenzene
InChI Key	ISRGONDNXBCDBM-UHFFFAOYSA-N
Molecular Formula	C8H7Cl

1,547

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2-Fluoro-4-iodoaniline, 99%

CAS: 29632-74-4 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD00011738 InChI Key: CUMTUBVTKOYYOU-UHFFFAOYSA-N Synonym: 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline PubChem CID: 185694 IUPAC Name: 2-fluoro-4-iodoaniline SMILES: C1=CC(=C(C=C1I)F)N

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Specifications

PubChem CID	185694
CAS	29632-74-4
Molecular Weight (g/mol)	237.016
MDL Number	MFCD00011738
SMILES	C1=CC(=C(C=C1I)F)N
Synonym	2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline
IUPAC Name	2-fluoro-4-iodoaniline
InChI Key	CUMTUBVTKOYYOU-UHFFFAOYSA-N
Molecular Formula	C6H5FIN

1,548

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Ethyltriphenylphosphonium bromide, 98+%

CAS: 1530-32-1 Molecular Formula: C20H20BrP Molecular Weight (g/mol): 371.26 MDL Number: MFCD00011838 InChI Key: JHYNXXDQQHTCHJ-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 PubChem CID: 73727 SMILES: [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	73727
CAS	1530-32-1
Molecular Weight (g/mol)	371.26
MDL Number	MFCD00011838
SMILES	[Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705
InChI Key	JHYNXXDQQHTCHJ-UHFFFAOYSA-M
Molecular Formula	C20H20BrP

1,549

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1-Phenylsemicarbazide, 99%

CAS: 103-03-7 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007942 InChI Key: AVKHCKXGKPAGEI-UHFFFAOYSA-N Synonym: phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine PubChem CID: 61002 ChEBI: CHEBI:82521 IUPAC Name: anilinourea SMILES: NC(=O)NNC1=CC=CC=C1

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Specifications

PubChem CID	61002
CAS	103-03-7
Molecular Weight (g/mol)	151.17
ChEBI	CHEBI:82521
MDL Number	MFCD00007942
SMILES	NC(=O)NNC1=CC=CC=C1
Synonym	phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine
IUPAC Name	anilinourea
InChI Key	AVKHCKXGKPAGEI-UHFFFAOYSA-N
Molecular Formula	C7H9N3O

1,550

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4-Methylsulphonylbenzylamine hydrochloride, 95%

CAS: 4393-16-2 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00216491 InChI Key: VMNXLLDFGVEBLE-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzylamine,4-methanesulfonylphenyl methanamine,4-methylsulfonyl phenyl methanamine,4-methylsulfonylbenzylamine,benzenemethanamine, 4-methylsulfonyl,unii-61o466wzw2,4-methanesulfonyl benzylamine,4-methylsulfonyl benzenemethanamine,4-methanesulfonylphenyl methylamine,4-methanesulfonyl-benzylamine PubChem CID: 57421 IUPAC Name: (4-methylsulfonylphenyl)methanamine SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN

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PubChem CID	57421
CAS	4393-16-2
Molecular Weight (g/mol)	185.241
MDL Number	MFCD00216491
SMILES	CS(=O)(=O)C1=CC=C(C=C1)CN
Synonym	4-methylsulfonyl benzylamine,4-methanesulfonylphenyl methanamine,4-methylsulfonyl phenyl methanamine,4-methylsulfonylbenzylamine,benzenemethanamine, 4-methylsulfonyl,unii-61o466wzw2,4-methanesulfonyl benzylamine,4-methylsulfonyl benzenemethanamine,4-methanesulfonylphenyl methylamine,4-methanesulfonyl-benzylamine
IUPAC Name	(4-methylsulfonylphenyl)methanamine
InChI Key	VMNXLLDFGVEBLE-UHFFFAOYSA-N
Molecular Formula	C8H11NO2S

1,551

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4-Hydroxy-2-(trifluoromethyl)benzonitrile, 98%

CAS: 320-42-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797340 InChI Key: MDBVIOUGHSKRMT-UHFFFAOYSA-N Synonym: 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile PubChem CID: 2783153 IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C#N

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PubChem CID	2783153
CAS	320-42-3
Molecular Weight (g/mol)	187.121
MDL Number	MFCD06797340
SMILES	C1=CC(=C(C=C1O)C(F)(F)F)C#N
Synonym	4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile
IUPAC Name	4-hydroxy-2-(trifluoromethyl)benzonitrile
InChI Key	MDBVIOUGHSKRMT-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO

1,552

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3-n-Propylphenol, 98%

CAS: 621-27-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD01632130 InChI Key: MPWGZBWDLMDIHO-UHFFFAOYSA-N Synonym: 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci PubChem CID: 69302 IUPAC Name: 3-propylphenol SMILES: CCCC1=CC(=CC=C1)O

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Specifications

PubChem CID	69302
CAS	621-27-2
Molecular Weight (g/mol)	136.194
MDL Number	MFCD01632130
SMILES	CCCC1=CC(=CC=C1)O
Synonym	3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci
IUPAC Name	3-propylphenol
InChI Key	MPWGZBWDLMDIHO-UHFFFAOYSA-N
Molecular Formula	C9H12O

1,553

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Chlorthalidone, 98%

CAS: 77-36-1 Molecular Formula: C₁₄H₁₁ClN₂O₄S Molecular Weight (g/mol): 338.77 InChI Key: JIVPVXMEBJLZRO-UHFFFAOYSA-N Synonym: chlorthalidone,chlortalidone,phthalamudine,chlorphthalidolone,hygroton,chlorthalidon,phthalamodine,chlorothalidone,chlorphthalidone,natriuran PubChem CID: 2732 ChEBI: CHEBI:3654 IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide SMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

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Specifications

PubChem CID	2732
CAS	77-36-1
Molecular Weight (g/mol)	338.77
ChEBI	CHEBI:3654
SMILES	C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O
Synonym	chlorthalidone,chlortalidone,phthalamudine,chlorphthalidolone,hygroton,chlorthalidon,phthalamodine,chlorothalidone,chlorphthalidone,natriuran
IUPAC Name	2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
InChI Key	JIVPVXMEBJLZRO-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₁ClN₂O₄S

1,554

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2-Methylbenzotrifluoride, 97%

CAS: 13630-19-8 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.14 MDL Number: MFCD00153204 InChI Key: DVFVNJHIVAPTMS-UHFFFAOYSA-N Synonym: 2-methylbenzotrifluoride,1-methyl-2-trifluoromethyl benzene,2-trifluoromethyl toluene,1-methyl-2-trifluoromethyl-benzene,alpha,alpha,alpha-trifluoro-o-xylene,benzene, methyl trifluoromethyl,benzene, 1-methyl-2-trifluoromethyl,2-methyl-1-trifluoromethyl benzene,trifluoromethyltoluene,pubchem1657 PubChem CID: 2775324 IUPAC Name: 1-methyl-2-(trifluoromethyl)benzene SMILES: CC1=CC=CC=C1C(F)(F)F

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PubChem CID	2775324
CAS	13630-19-8
Molecular Weight (g/mol)	160.14
MDL Number	MFCD00153204
SMILES	CC1=CC=CC=C1C(F)(F)F
Synonym	2-methylbenzotrifluoride,1-methyl-2-trifluoromethyl benzene,2-trifluoromethyl toluene,1-methyl-2-trifluoromethyl-benzene,alpha,alpha,alpha-trifluoro-o-xylene,benzene, methyl trifluoromethyl,benzene, 1-methyl-2-trifluoromethyl,2-methyl-1-trifluoromethyl benzene,trifluoromethyltoluene,pubchem1657
IUPAC Name	1-methyl-2-(trifluoromethyl)benzene
InChI Key	DVFVNJHIVAPTMS-UHFFFAOYSA-N
Molecular Formula	C8H7F3

1,555

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2-(Trifluoromethyl)benzeneboronic acid, 97%

CAS: 1423-27-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.928 MDL Number: MFCD00236059 InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid PubChem CID: 2734387 IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O

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PubChem CID	2734387
CAS	1423-27-4
Molecular Weight (g/mol)	189.928
MDL Number	MFCD00236059
SMILES	B(C1=CC=CC=C1C(F)(F)F)(O)O
Synonym	2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid
IUPAC Name	[2-(trifluoromethyl)phenyl]boronic acid
InChI Key	JNSBEPKGFVENFS-UHFFFAOYSA-N
Molecular Formula	C7H6BF3O2

1,556

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1-Iodo-4-(trifluoromethoxy)benzene, 98%

CAS: 103962-05-6 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042411 InChI Key: RTUDBROGOZBBIC-UHFFFAOYSA-N Synonym: 1-iodo-4-trifluoromethoxy benzene,4-trifluoromethoxy iodobenzene,4-iodotrifluoromethoxybenzene,1-iado-4-trifluoromethoxy benzene,p-trifluoromethoxy iodobenzene,4-trifluoromethoxy-iodobenzene,1-iodo-4-trifluoromethoxy-benzene,benzene, 1-iodo-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4-iodoanisole,4-iodo-alpha,alpha,alpha-trifluoromethoxybenzene PubChem CID: 2777294 IUPAC Name: 1-iodo-4-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=C(I)C=C1

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PubChem CID	2777294
CAS	103962-05-6
Molecular Weight (g/mol)	288.01
MDL Number	MFCD00042411
SMILES	FC(F)(F)OC1=CC=C(I)C=C1
Synonym	1-iodo-4-trifluoromethoxy benzene,4-trifluoromethoxy iodobenzene,4-iodotrifluoromethoxybenzene,1-iado-4-trifluoromethoxy benzene,p-trifluoromethoxy iodobenzene,4-trifluoromethoxy-iodobenzene,1-iodo-4-trifluoromethoxy-benzene,benzene, 1-iodo-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4-iodoanisole,4-iodo-alpha,alpha,alpha-trifluoromethoxybenzene
IUPAC Name	1-iodo-4-(trifluoromethoxy)benzene
InChI Key	RTUDBROGOZBBIC-UHFFFAOYSA-N
Molecular Formula	C7H4F3IO

1,557

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3-Bromo-4-methylaniline, 97%

CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br

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Specifications

PubChem CID	82187
CAS	7745-91-7
Molecular Weight (g/mol)	186.05
MDL Number	MFCD00134176
SMILES	CC1=CC=C(N)C=C1Br
Synonym	3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline
IUPAC Name	3-bromo-4-methylaniline
InChI Key	GRXMMIBZRMKADT-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

1,558

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2,4-Dichloro-5-methoxyaniline, 98%

CAS: 98446-49-2 Molecular Formula: C7H7Cl2NO Molecular Weight (g/mol): 192.039 MDL Number: MFCD00974410 InChI Key: AJROJTARXSATEB-UHFFFAOYSA-N Synonym: 5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine PubChem CID: 1476636 IUPAC Name: 2,4-dichloro-5-methoxyaniline SMILES: COC1=C(C=C(C(=C1)N)Cl)Cl

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Specifications

PubChem CID	1476636
CAS	98446-49-2
Molecular Weight (g/mol)	192.039
MDL Number	MFCD00974410
SMILES	COC1=C(C=C(C(=C1)N)Cl)Cl
Synonym	5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine
IUPAC Name	2,4-dichloro-5-methoxyaniline
InChI Key	AJROJTARXSATEB-UHFFFAOYSA-N
Molecular Formula	C7H7Cl2NO