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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2,116 – 2,130 of 64,662 results

2,116

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4-Aminobenzotrifluoride, 99%

CAS: 455-14-1 Molecular Formula: C₇H₆F₃N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

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Specifications

PubChem CID	9964
CAS	455-14-1
Molecular Weight (g/mol)	161.13
ChEBI	CHEBI:40750
MDL Number	MFCD00064396
SMILES	C1=CC(=CC=C1C(F)(F)F)N
Synonym	4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name	4-(trifluoromethyl)aniline
InChI Key	ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula	C₇H₆F₃N

2,117

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4-Methoxy-3-(trifluoromethyl)benzoyl chloride, 97%

CAS: 98187-18-9 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631576 InChI Key: PBKYPTQBAQQVPT-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl benzoyl chloride,3-trifluoromethyl-p-anisoyl chloride,5-chlorocarbonyl-2-methoxybenzotrifluoride,4methoxy-3-trifluoromethylbenzoyl chloride,4-methoxy-5-trifluoromethylbenzoyl chloride,3-trifluoromethyl-4-methoxy-benzoyl chloride,4-methoxy-3-trifluoromethyl benzoylchloride,4-methoxy-3-trifluromethyl benzoyl chloride,4-methoxy-3-trifluoromethyl-benzoyl chloride PubChem CID: 2775298 IUPAC Name: 4-methoxy-3-(trifluoromethyl)benzoyl chloride SMILES: COC1=CC=C(C=C1C(F)(F)F)C(Cl)=O

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Specifications

PubChem CID	2775298
CAS	98187-18-9
Molecular Weight (g/mol)	238.59
MDL Number	MFCD01631576
SMILES	COC1=CC=C(C=C1C(F)(F)F)C(Cl)=O
Synonym	4-methoxy-3-trifluoromethyl benzoyl chloride,3-trifluoromethyl-p-anisoyl chloride,5-chlorocarbonyl-2-methoxybenzotrifluoride,4methoxy-3-trifluoromethylbenzoyl chloride,4-methoxy-5-trifluoromethylbenzoyl chloride,3-trifluoromethyl-4-methoxy-benzoyl chloride,4-methoxy-3-trifluoromethyl benzoylchloride,4-methoxy-3-trifluromethyl benzoyl chloride,4-methoxy-3-trifluoromethyl-benzoyl chloride
IUPAC Name	4-methoxy-3-(trifluoromethyl)benzoyl chloride
InChI Key	PBKYPTQBAQQVPT-UHFFFAOYSA-N
Molecular Formula	C9H6ClF3O2

2,118

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Thermo Scientific Chemicals Fenofibrate, 98%

CAS: 49562-28-9 Molecular Formula: C₂₀H₂₁ClO₄ Molecular Weight (g/mol): 360.83 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N PubChem CID: 3339 ChEBI: CHEBI:5001

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Specifications

PubChem CID	3339
CAS	49562-28-9
Molecular Weight (g/mol)	360.83
ChEBI	CHEBI:5001
InChI Key	YMTINGFKWWXKFG-UHFFFAOYSA-N
Molecular Formula	C₂₀H₂₁ClO₄

2,119

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Benzylamine, 99%, pure

CAS: 100-46-9 Molecular Formula: C₇H₉N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN

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Specifications

PubChem CID	7504
CAS	100-46-9
Molecular Weight (g/mol)	107.15
ChEBI	CHEBI:40538
MDL Number	MFCD00008106
SMILES	C1=CC=C(C=C1)CN
Synonym	benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine
IUPAC Name	phenylmethanamine
InChI Key	WGQKYBSKWIADBV-UHFFFAOYSA-N
Molecular Formula	C₇H₉N

2,120

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4-Bromo-2-fluorobenzyl alcohol, 97%, Thermo Scientific Chemicals

CAS: 188582-62-9 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143265 InChI Key: BWBJZMQPVBWEJU-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg PubChem CID: 2734027 IUPAC Name: (4-bromo-2-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1Br)F)CO

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Specifications

PubChem CID	2734027
CAS	188582-62-9
Molecular Weight (g/mol)	205.026
MDL Number	MFCD00143265
SMILES	C1=CC(=C(C=C1Br)F)CO
Synonym	4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg
IUPAC Name	(4-bromo-2-fluorophenyl)methanol
InChI Key	BWBJZMQPVBWEJU-UHFFFAOYSA-N
Molecular Formula	C7H6BrFO

2,121

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4,4'-Difluorobenzophenone, 99%

CAS: 345-92-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.20 MDL Number: MFCD00000353 InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c PubChem CID: 9582 IUPAC Name: bis(4-fluorophenyl)methanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1

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Specifications

PubChem CID	9582
CAS	345-92-6
Molecular Weight (g/mol)	218.20
MDL Number	MFCD00000353
SMILES	FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1
Synonym	4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c
IUPAC Name	bis(4-fluorophenyl)methanone
InChI Key	LSQARZALBDFYQZ-UHFFFAOYSA-N
Molecular Formula	C13H8F2O

2,122

TraceCERT™ 2,4-Dichlorobenzotrifluoride, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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2,123

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4-tert-Butylstyrene, 94%, stab. with 50 ppm 4-tert-butylcatechol

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

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Specifications

PubChem CID	15627
CAS	1746-23-2
Molecular Weight (g/mol)	160.26
MDL Number	MFCD00065126
SMILES	CC(C)(C)C1=CC=C(C=C1)C=C
Synonym	4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene
IUPAC Name	1-tert-butyl-4-ethenylbenzene
InChI Key	QEDJMOONZLUIMC-UHFFFAOYSA-N
Molecular Formula	C12H16

2,124

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4-Hydroxybenzophenone, 98+%

CAS: 1137-42-4 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002355 InChI Key: NPFYZDNDJHZQKY-UHFFFAOYSA-N Synonym: 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone PubChem CID: 14347 ChEBI: CHEBI:34421 IUPAC Name: (4-hydroxyphenyl)-phenylmethanone SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	14347
CAS	1137-42-4
Molecular Weight (g/mol)	198.22
ChEBI	CHEBI:34421
MDL Number	MFCD00002355
SMILES	OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
Synonym	4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone
IUPAC Name	(4-hydroxyphenyl)-phenylmethanone
InChI Key	NPFYZDNDJHZQKY-UHFFFAOYSA-N
Molecular Formula	C13H10O2

2,125

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1,3,5-Tris(4-bromophenyl)benzene, 97%

CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br

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Specifications

PubChem CID	232761
CAS	7511-49-1
Molecular Weight (g/mol)	543.096
MDL Number	MFCD00362911
SMILES	C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
Synonym	1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1'
IUPAC Name	1,3,5-tris(4-bromophenyl)benzene
InChI Key	HJQRITCAXSBOPC-UHFFFAOYSA-N
Molecular Formula	C24H15Br3

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Fluoxetine hydrochloride, 99%

CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

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Specifications

PubChem CID	62857
CAS	56296-78-7
Molecular Weight (g/mol)	345.79
MDL Number	MFCD00214288
SMILES	CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
Synonym	fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan
IUPAC Name	N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
InChI Key	GIYXAJPCNFJEHY-UHFFFAOYSA-N
Molecular Formula	C17H19ClF3NO

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O-Acetylsalicyloyl chloride, 97%

CAS: 5538-51-2 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.602 MDL Number: MFCD00000663 InChI Key: DSGKWFGEUBCEIE-UHFFFAOYSA-N Synonym: 2-acetoxybenzoyl chloride,o-acetylsalicyloyl chloride,acetylsalicyloyl chloride,2-chlorocarbonyl phenyl acetate,benzoyl chloride, 2-acetyloxy,aspirin chloride,o-acetylsalicyloylchloride,acetylsalicoyl chloride,2-carbonochloridoyl phenyl acetate,ascc PubChem CID: 79668 IUPAC Name: (2-carbonochloridoylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(=O)Cl

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Specifications

PubChem CID	79668
CAS	5538-51-2
Molecular Weight (g/mol)	198.602
MDL Number	MFCD00000663
SMILES	CC(=O)OC1=CC=CC=C1C(=O)Cl
Synonym	2-acetoxybenzoyl chloride,o-acetylsalicyloyl chloride,acetylsalicyloyl chloride,2-chlorocarbonyl phenyl acetate,benzoyl chloride, 2-acetyloxy,aspirin chloride,o-acetylsalicyloylchloride,acetylsalicoyl chloride,2-carbonochloridoyl phenyl acetate,ascc
IUPAC Name	(2-carbonochloridoylphenyl) acetate
InChI Key	DSGKWFGEUBCEIE-UHFFFAOYSA-N
Molecular Formula	C9H7ClO3

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3-(tert-Butyldimethylsiloxy)benzeneboronic acid, tech. 90%

CAS: 261621-12-9 Molecular Formula: C12H21BO3Si Molecular Weight (g/mol): 252.19 MDL Number: MFCD03701505 InChI Key: RDQWADDNQONTLB-UHFFFAOYSA-N Synonym: 3-tert-butyldimethylsilyl oxy phenyl boronic acid,3-tert-butyldimethylsilyloxy phenylboronic acid,3-t-butyldimethylsilyloxy phenylboronic acid,3-tert-butyl dimethylsiloxy phenyl boronic acid,3-tert-butyldimethylsilyloxy benzeneboronic acid,3-tert-butyldimethylsiloxy benzeneboronic acid,3-tert-butyldimethylsilyl oxy phenylboronic acid,3-tert-butyl dimethyl silyl oxyphenyl boronic acid,m-t-butyldimethylsilyloxy phenylboronic acid,3-t-butyl dimethylsiloxy phenyl boronic acid PubChem CID: 3463029 IUPAC Name: [3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)B(O)O

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Specifications

PubChem CID	3463029
CAS	261621-12-9
Molecular Weight (g/mol)	252.19
MDL Number	MFCD03701505
SMILES	CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)B(O)O
Synonym	3-tert-butyldimethylsilyl oxy phenyl boronic acid,3-tert-butyldimethylsilyloxy phenylboronic acid,3-t-butyldimethylsilyloxy phenylboronic acid,3-tert-butyl dimethylsiloxy phenyl boronic acid,3-tert-butyldimethylsilyloxy benzeneboronic acid,3-tert-butyldimethylsiloxy benzeneboronic acid,3-tert-butyldimethylsilyl oxy phenylboronic acid,3-tert-butyl dimethyl silyl oxyphenyl boronic acid,m-t-butyldimethylsilyloxy phenylboronic acid,3-t-butyl dimethylsiloxy phenyl boronic acid
IUPAC Name	[3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
InChI Key	RDQWADDNQONTLB-UHFFFAOYSA-N
Molecular Formula	C12H21BO3Si

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4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

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Specifications

PubChem CID	24229686
CAS	906353-00-2
Molecular Weight (g/mol)	230.22
MDL Number	MFCD09817529
SMILES	CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym	4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key	PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula	C12H10N2O3

2,130

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2-Hydroxybenzhydrazide, 98+%

CAS: 936-02-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007599 InChI Key: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonym: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide PubChem CID: 13637 IUPAC Name: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

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Specifications

PubChem CID	13637
CAS	936-02-7
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00007599
SMILES	C1=CC=C(C(=C1)C(=O)NN)O
Synonym	salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
IUPAC Name	2-hydroxybenzohydrazide
InChI Key	XSXYESVZDBAKKT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

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