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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5,941 – 5,955 of 76,539 results

5,941

2-(Trifluoromethoxy)benzyl Alcohol 96.0+%, TCI America™

CAS: 175278-07-6 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.14 MDL Number: MFCD00153285 InChI Key: ICOVMLDFMWLRJO-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 PubChem CID: 2777245 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanol SMILES: OCC1=CC=CC=C1OC(F)(F)F

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Specifications

PubChem CID	2777245
CAS	175278-07-6
Molecular Weight (g/mol)	192.14
MDL Number	MFCD00153285
SMILES	OCC1=CC=CC=C1OC(F)(F)F
Synonym	2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282
IUPAC Name	[2-(trifluoromethoxy)phenyl]methanol
InChI Key	ICOVMLDFMWLRJO-UHFFFAOYSA-N
Molecular Formula	C8H7F3O2

5,942

4-Hydroxymethylbiphenyl 99.0+%, TCI America™

CAS: 3597-91-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00004660 InChI Key: AXCHZLOJGKSWLV-UHFFFAOYSA-N Synonym: 4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb PubChem CID: 19186 IUPAC Name: (4-phenylphenyl)methanol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	19186
CAS	3597-91-9
Molecular Weight (g/mol)	184.238
MDL Number	MFCD00004660
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CO
Synonym	4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb
IUPAC Name	(4-phenylphenyl)methanol
InChI Key	AXCHZLOJGKSWLV-UHFFFAOYSA-N
Molecular Formula	C13H12O

5,943

N-Phenylnicotinamide Hydrochloride 98.0+%, TCI America™

CAS: 69135-90-6 Molecular Formula: C12H11ClN2O Molecular Weight (g/mol): 234.683 MDL Number: MFCD00060194 InChI Key: SQFVWDGIESXVGY-UHFFFAOYSA-N Synonym: Nicotinanilide Hydrochloride PubChem CID: 23296855 IUPAC Name: N-phenylpyridine-3-carboxamide;hydrochloride SMILES: C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2.Cl

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Specifications

PubChem CID	23296855
CAS	69135-90-6
Molecular Weight (g/mol)	234.683
MDL Number	MFCD00060194
SMILES	C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2.Cl
Synonym	Nicotinanilide Hydrochloride
IUPAC Name	N-phenylpyridine-3-carboxamide;hydrochloride
InChI Key	SQFVWDGIESXVGY-UHFFFAOYSA-N
Molecular Formula	C12H11ClN2O

5,944

2,4,6-Trifluoroaniline 98.0+%, TCI America™

CAS: 363-81-5 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.1 MDL Number: MFCD00007650 InChI Key: BJSVKBGQDHUBHZ-UHFFFAOYSA-N Synonym: 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline PubChem CID: 67765 IUPAC Name: 2,4,6-trifluoroaniline SMILES: C1=C(C=C(C(=C1F)N)F)F

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Specifications

PubChem CID	67765
CAS	363-81-5
Molecular Weight (g/mol)	147.1
MDL Number	MFCD00007650
SMILES	C1=C(C=C(C(=C1F)N)F)F
Synonym	2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline
IUPAC Name	2,4,6-trifluoroaniline
InChI Key	BJSVKBGQDHUBHZ-UHFFFAOYSA-N
Molecular Formula	C6H4F3N

5,945

sec-Butylbenzene 99.0+%, TCI America™

CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1

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Specifications

PubChem CID	8680
CAS	135-98-8
Molecular Weight (g/mol)	134.222
ChEBI	CHEBI:35097
MDL Number	MFCD00009329
SMILES	CCC(C)C1=CC=CC=C1
Synonym	sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene
IUPAC Name	butan-2-ylbenzene
InChI Key	ZJMWRROPUADPEA-UHFFFAOYSA-N
Molecular Formula	C10H14

5,946

5'-Amino-2'-methylacetanilide 98.0+%, TCI America™

CAS: 5434-30-0 Molecular Formula: C9H12N2O Molecular Weight (g/mol): 164.208 MDL Number: MFCD00047859 InChI Key: UAZGSMMESOKKQZ-UHFFFAOYSA-N Synonym: n-5-amino-2-methylphenyl acetamide,2-acetylamino-4-aminotoluene,acetamide, n-5-amino-2-methylphenyl,5'-amino-2'-methylacetanilide,2-acetylamino-p-toluidine,n1-5-amino-2-methylphenyl acetamide,n-3-amino-6-methylphenyl acetamide,3-acetylamino-p-toluidine,2-methyl-5-aminoacetaniline,3-acetamido-4-methylaniline PubChem CID: 79492 IUPAC Name: N-(5-amino-2-methylphenyl)acetamide SMILES: CC1=C(C=C(C=C1)N)NC(=O)C

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Specifications

PubChem CID	79492
CAS	5434-30-0
Molecular Weight (g/mol)	164.208
MDL Number	MFCD00047859
SMILES	CC1=C(C=C(C=C1)N)NC(=O)C
Synonym	n-5-amino-2-methylphenyl acetamide,2-acetylamino-4-aminotoluene,acetamide, n-5-amino-2-methylphenyl,5'-amino-2'-methylacetanilide,2-acetylamino-p-toluidine,n1-5-amino-2-methylphenyl acetamide,n-3-amino-6-methylphenyl acetamide,3-acetylamino-p-toluidine,2-methyl-5-aminoacetaniline,3-acetamido-4-methylaniline
IUPAC Name	N-(5-amino-2-methylphenyl)acetamide
InChI Key	UAZGSMMESOKKQZ-UHFFFAOYSA-N
Molecular Formula	C9H12N2O

5,947

3-Bromo-4-fluorophenylacetic Acid 97.0+%, TCI America™

CAS: 194019-11-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.04 MDL Number: MFCD04038373 InChI Key: XXFGIJYSXNXNAU-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorophenylacetic acid,2-3-bromo-4-fluorophenyl acetic acid,3-bromo-4-fluorophenylaceticacid,3-bromo-4-fluorophenyl acetic acid,benzeneacetic acid, 3-bromo-4-fluoro,3-bromo-4-fluoro-phenyl-acetic acid,2-3-bromo-4-fluoro-phenyl acetic acid,acmc-209exn,ksc497i4b,61150-59-2 3-bromo-4-fluorophenylacetic acid PubChem CID: 3416339 IUPAC Name: 2-(3-bromo-4-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC(Br)=C(F)C=C1

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Specifications

PubChem CID	3416339
CAS	194019-11-9
Molecular Weight (g/mol)	233.04
MDL Number	MFCD04038373
SMILES	OC(=O)CC1=CC(Br)=C(F)C=C1
Synonym	3-bromo-4-fluorophenylacetic acid,2-3-bromo-4-fluorophenyl acetic acid,3-bromo-4-fluorophenylaceticacid,3-bromo-4-fluorophenyl acetic acid,benzeneacetic acid, 3-bromo-4-fluoro,3-bromo-4-fluoro-phenyl-acetic acid,2-3-bromo-4-fluoro-phenyl acetic acid,acmc-209exn,ksc497i4b,61150-59-2 3-bromo-4-fluorophenylacetic acid
IUPAC Name	2-(3-bromo-4-fluorophenyl)acetic acid
InChI Key	XXFGIJYSXNXNAU-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO2

5,948

5-Chloro-2-(methylamino)benzophenone 98.0+%, TCI America™

CAS: 1022-13-5 Molecular Formula: C14H12ClNO Molecular Weight (g/mol): 245.71 MDL Number: MFCD00008284 InChI Key: WPNMLCMTDCANOZ-UHFFFAOYSA-N Synonym: 5-chloro-2-methylamino benzophenone,5-chloro-2-methylaminobenzophenone,2-methylamino-5-chlorobenzophenone,5-chloro-2-methylamino phenyl phenyl methanone,methanone, 5-chloro-2-methylamino phenyl phenyl,unii-d4gd5770pi,benzophenone, 5-chloro-2-methylamino,2-benzoyl-4-chloro-n-methylaniline,5-chloro-2-methylamino phenyl phenylmethanone,5-chloro-2-methylamino phenyl-phenylmethanone PubChem CID: 13925 IUPAC Name: 2-benzoyl-4-chloro-N-methylaniline SMILES: CNC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	13925
CAS	1022-13-5
Molecular Weight (g/mol)	245.71
MDL Number	MFCD00008284
SMILES	CNC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
Synonym	5-chloro-2-methylamino benzophenone,5-chloro-2-methylaminobenzophenone,2-methylamino-5-chlorobenzophenone,5-chloro-2-methylamino phenyl phenyl methanone,methanone, 5-chloro-2-methylamino phenyl phenyl,unii-d4gd5770pi,benzophenone, 5-chloro-2-methylamino,2-benzoyl-4-chloro-n-methylaniline,5-chloro-2-methylamino phenyl phenylmethanone,5-chloro-2-methylamino phenyl-phenylmethanone
IUPAC Name	2-benzoyl-4-chloro-N-methylaniline
InChI Key	WPNMLCMTDCANOZ-UHFFFAOYSA-N
Molecular Formula	C14H12ClNO

5,949

4-Propyltoluene 99.0+%, TCI America™

CAS: 1074-55-1 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00048698 InChI Key: JXFVMNFKABWTHD-UHFFFAOYSA-N Synonym: 1-Methyl-4-propylbenzene PubChem CID: 14095 IUPAC Name: 1-methyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C

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PubChem CID	14095
CAS	1074-55-1
Molecular Weight (g/mol)	134.222
MDL Number	MFCD00048698
SMILES	CCCC1=CC=C(C=C1)C
Synonym	1-Methyl-4-propylbenzene
IUPAC Name	1-methyl-4-propylbenzene
InChI Key	JXFVMNFKABWTHD-UHFFFAOYSA-N
Molecular Formula	C10H14

5,950

3-Chloro-4-fluorobenzaldehyde 98.0+%, TCI America™

CAS: 34328-61-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00011735 InChI Key: GVORVQPNNSASDM-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoro-benzaldehyde,benzaldehyde, 3-chloro-4-fluoro,3-chloro-4-fluorobenzaldehyde,,pubchem1409,acmc-1bmpv,3-chloro4-fluorobenzaldehyde,ksc496c9d,3-chloro-4fluoro-benzaldehyde,4-fluoro-3-chlorobenzaldehyde,3-chloro,4-fluorobenzaldehyde; PubChem CID: 593866 IUPAC Name: 3-chloro-4-fluorobenzaldehyde SMILES: FC1=CC=C(C=O)C=C1Cl

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PubChem CID	593866
CAS	34328-61-5
Molecular Weight (g/mol)	158.56
MDL Number	MFCD00011735
SMILES	FC1=CC=C(C=O)C=C1Cl
Synonym	3-chloro-4-fluoro-benzaldehyde,benzaldehyde, 3-chloro-4-fluoro,3-chloro-4-fluorobenzaldehyde,,pubchem1409,acmc-1bmpv,3-chloro4-fluorobenzaldehyde,ksc496c9d,3-chloro-4fluoro-benzaldehyde,4-fluoro-3-chlorobenzaldehyde,3-chloro,4-fluorobenzaldehyde;
IUPAC Name	3-chloro-4-fluorobenzaldehyde
InChI Key	GVORVQPNNSASDM-UHFFFAOYSA-N
Molecular Formula	C7H4ClFO

5,951

2,3,4-Trifluorobenzyl Bromide 98.0+%, TCI America™

CAS: 157911-55-2 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00061233 InChI Key: DGSXDQVPGXFOAN-UHFFFAOYSA-N PubChem CID: 2777050 IUPAC Name: 1-(bromomethyl)-2,3,4-trifluorobenzene SMILES: C1=CC(=C(C(=C1CBr)F)F)F

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Specifications

PubChem CID	2777050
CAS	157911-55-2
Molecular Weight (g/mol)	225.008
MDL Number	MFCD00061233
SMILES	C1=CC(=C(C(=C1CBr)F)F)F
IUPAC Name	1-(bromomethyl)-2,3,4-trifluorobenzene
InChI Key	DGSXDQVPGXFOAN-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3

5,952

2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine 97.0+%, TCI America™

CAS: 761440-16-8 Molecular Formula: C13H13Cl2N3O2S Molecular Weight (g/mol): 346.23 MDL Number: MFCD12827956 InChI Key: WWVLDJAVSQZSKO-UHFFFAOYSA-N PubChem CID: 59764378 IUPAC Name: 2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl

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Specifications

PubChem CID	59764378
CAS	761440-16-8
Molecular Weight (g/mol)	346.23
MDL Number	MFCD12827956
SMILES	CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl
IUPAC Name	2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine
InChI Key	WWVLDJAVSQZSKO-UHFFFAOYSA-N
Molecular Formula	C13H13Cl2N3O2S

5,953

Bromopentamethylbenzene 97.0+%, TCI America™

CAS: 5153-40-2 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.15 MDL Number: MFCD00013523 InChI Key: XPDQRULPGCFCLX-UHFFFAOYSA-N Synonym: bromopentamethylbenzene,benzene, bromopentamethyl,pentamethylbromobenzene,1-bromopentamethylbenzene,1-bromo-2,3,4,5,6-pentamethyl-benzene,brompentamethylbenzol,maybridge1_002545,ksc273s6f,acmc-1b227,5-bromo-1,2,3,4,6-pentamethylbenzene PubChem CID: 78831 IUPAC Name: 1-bromo-2,3,4,5,6-pentamethylbenzene SMILES: CC1=C(C)C(C)=C(Br)C(C)=C1C

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Specifications

PubChem CID	78831
CAS	5153-40-2
Molecular Weight (g/mol)	227.15
MDL Number	MFCD00013523
SMILES	CC1=C(C)C(C)=C(Br)C(C)=C1C
Synonym	bromopentamethylbenzene,benzene, bromopentamethyl,pentamethylbromobenzene,1-bromopentamethylbenzene,1-bromo-2,3,4,5,6-pentamethyl-benzene,brompentamethylbenzol,maybridge1_002545,ksc273s6f,acmc-1b227,5-bromo-1,2,3,4,6-pentamethylbenzene
IUPAC Name	1-bromo-2,3,4,5,6-pentamethylbenzene
InChI Key	XPDQRULPGCFCLX-UHFFFAOYSA-N
Molecular Formula	C11H15Br

5,954

(R)-(+)-1-Phenyl-1-propanol 98.0+%, TCI America™

CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

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Specifications

PubChem CID	640199
CAS	1565-74-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00064279
SMILES	CCC(C1=CC=CC=C1)O
Synonym	r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol
IUPAC Name	(1R)-1-phenylpropan-1-ol
InChI Key	DYUQAZSOFZSPHD-SECBINFHSA-N
Molecular Formula	C9H12O

5,955

(-)-1,4-Di-O-benzyl-L-threitol 98.0+%, TCI America™

CAS: 17401-06-8 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00077723 InChI Key: YAVAVQDYJARRAU-UHFFFAOYNA-N Synonym: (-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol PubChem CID: 7018858 IUPAC Name: 1,4-bis(benzyloxy)butane-2,3-diol SMILES: OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1

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Specifications

PubChem CID	7018858
CAS	17401-06-8
Molecular Weight (g/mol)	302.37
MDL Number	MFCD00077723
SMILES	OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1
Synonym	(-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol
IUPAC Name	1,4-bis(benzyloxy)butane-2,3-diol
InChI Key	YAVAVQDYJARRAU-UHFFFAOYNA-N
Molecular Formula	C18H22O4

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