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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5,041 – 5,055 of 57,283 results

5,041

1-Bromo-4-(trimethylsilyl)benzene 97.0+%, TCI America™

CAS: 6999-03-7 Molecular Formula: C9H13BrSi Molecular Weight (g/mol): 229.19 MDL Number: MFCD00094165 InChI Key: UKTSSJJZFVGTCG-UHFFFAOYSA-N Synonym: (4-Bromophenyl)trimethylsilane PubChem CID: 138897 IUPAC Name: (4-bromophenyl)-trimethylsilane SMILES: C[Si](C)(C)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	138897
CAS	6999-03-7
Molecular Weight (g/mol)	229.19
MDL Number	MFCD00094165
SMILES	C[Si](C)(C)C1=CC=C(C=C1)Br
Synonym	(4-Bromophenyl)trimethylsilane
IUPAC Name	(4-bromophenyl)-trimethylsilane
InChI Key	UKTSSJJZFVGTCG-UHFFFAOYSA-N
Molecular Formula	C9H13BrSi

5,042

3-Fluorobenzyl Cyanide 98.0+%, TCI America™

CAS: 501-00-8 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00001907 InChI Key: DEJPYROXSVVWIE-UHFFFAOYSA-N Synonym: 3-fluorophenylacetonitrile,3-fluorobenzyl cyanide,2-3-fluorophenyl acetonitrile,m-fluorophenylacetonitrile,benzeneacetonitrile, 3-fluoro,3-fluorobenzeneacetonitrile,m-fluorobenzyl cyanide,acetonitrile, m-fluorophenyl,3-fluorophenyl acetonitrile,2-3-fluorophenyl ethanenitrile PubChem CID: 68145 IUPAC Name: 2-(3-fluorophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)F)CC#N

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Specifications

PubChem CID	68145
CAS	501-00-8
Molecular Weight (g/mol)	135.141
MDL Number	MFCD00001907
SMILES	C1=CC(=CC(=C1)F)CC#N
Synonym	3-fluorophenylacetonitrile,3-fluorobenzyl cyanide,2-3-fluorophenyl acetonitrile,m-fluorophenylacetonitrile,benzeneacetonitrile, 3-fluoro,3-fluorobenzeneacetonitrile,m-fluorobenzyl cyanide,acetonitrile, m-fluorophenyl,3-fluorophenyl acetonitrile,2-3-fluorophenyl ethanenitrile
IUPAC Name	2-(3-fluorophenyl)acetonitrile
InChI Key	DEJPYROXSVVWIE-UHFFFAOYSA-N
Molecular Formula	C8H6FN

5,043

4-(4-tert-Butylphenyl)benzoic Acid 98.0+%, TCI America™

CAS: 5748-42-5 Molecular Formula: C17H18O2 Molecular Weight (g/mol): 254.329 MDL Number: MFCD01631300 InChI Key: HZIOPONJCVOCFE-UHFFFAOYSA-N PubChem CID: 541479 IUPAC Name: 4-(4-tert-butylphenyl)benzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	541479
CAS	5748-42-5
Molecular Weight (g/mol)	254.329
MDL Number	MFCD01631300
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
IUPAC Name	4-(4-tert-butylphenyl)benzoic acid
InChI Key	HZIOPONJCVOCFE-UHFFFAOYSA-N
Molecular Formula	C17H18O2

5,044

Phenylurea 98.0+%, TCI America™

CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

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Specifications

PubChem CID	6145
CAS	64-10-8
Molecular Weight (g/mol)	136.154
MDL Number	MFCD00007944
SMILES	C1=CC=C(C=C1)NC(=O)N
Synonym	1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name	phenylurea
InChI Key	LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O

5,045

5-Bromo-2-chlorobenzonitrile 98.0+%, TCI America™

CAS: 57381-44-9 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.462 MDL Number: MFCD00672948 InChI Key: NKDMQBUJOXQVEA-UHFFFAOYSA-N PubChem CID: 21525431 IUPAC Name: 5-bromo-2-chlorobenzonitrile SMILES: C1=CC(=C(C=C1Br)C#N)Cl

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Specifications

PubChem CID	21525431
CAS	57381-44-9
Molecular Weight (g/mol)	216.462
MDL Number	MFCD00672948
SMILES	C1=CC(=C(C=C1Br)C#N)Cl
IUPAC Name	5-bromo-2-chlorobenzonitrile
InChI Key	NKDMQBUJOXQVEA-UHFFFAOYSA-N
Molecular Formula	C7H3BrClN

5,046

2-Chloro-5-fluorobenzoic Acid 98.0+%, TCI America™

CAS: 2252-50-8 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.56 MDL Number: MFCD00156967 InChI Key: MIZKCMSSYVUZKD-UHFFFAOYSA-N Synonym: 5-fluoro-2-chlorobenzoic acid,2-chloro-5-fluorobenzoicacid,2-chloro-5-fluoro-benzoic acid,2-chloro5-fluorobenzoic acid,2-chloro-5-fluoro benzoic acid,pubchem1371,acmc-209fx4,ksc201s8l,rarechem al bo 2229 PubChem CID: 302888 IUPAC Name: 2-chloro-5-fluorobenzoic acid SMILES: OC(=O)C1=CC(F)=CC=C1Cl

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Specifications

PubChem CID	302888
CAS	2252-50-8
Molecular Weight (g/mol)	174.56
MDL Number	MFCD00156967
SMILES	OC(=O)C1=CC(F)=CC=C1Cl
Synonym	5-fluoro-2-chlorobenzoic acid,2-chloro-5-fluorobenzoicacid,2-chloro-5-fluoro-benzoic acid,2-chloro5-fluorobenzoic acid,2-chloro-5-fluoro benzoic acid,pubchem1371,acmc-209fx4,ksc201s8l,rarechem al bo 2229
IUPAC Name	2-chloro-5-fluorobenzoic acid
InChI Key	MIZKCMSSYVUZKD-UHFFFAOYSA-N
Molecular Formula	C7H4ClFO2

5,047

3-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1

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Specifications

PubChem CID	2734356
CAS	87199-16-4
Molecular Weight (g/mol)	149.94
MDL Number	MFCD00161356
SMILES	OB(O)C1=CC=CC(C=O)=C1
Synonym	3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid
IUPAC Name	(3-formylphenyl)boronic acid
InChI Key	HJBGZJMKTOMQRR-UHFFFAOYSA-N
Molecular Formula	C7H7BO3

5,048

N-(2-Carboxy-4,5-dichlorobenzoyl)-(-)-10,2-camphorsultam 98.0+%, TCI America™

CAS: 193202-37-8 Molecular Formula: C18H19Cl2NO5S Molecular Weight (g/mol): 432.312 MDL Number: MFCD04117914 InChI Key: RFABDSDXSYNRJG-UHFFFAOYSA-N PubChem CID: 44630218 SMILES: CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4=CC(=C(C=C4C(=O)O)Cl)Cl)C

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Specifications

PubChem CID	44630218
CAS	193202-37-8
Molecular Weight (g/mol)	432.312
MDL Number	MFCD04117914
SMILES	CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4=CC(=C(C=C4C(=O)O)Cl)Cl)C
InChI Key	RFABDSDXSYNRJG-UHFFFAOYSA-N
Molecular Formula	C18H19Cl2NO5S

5,049

4,4'-Difluorobenzhydryl Chloride 97.0+%, TCI America™

CAS: 27064-94-4 Molecular Formula: C13H9ClF2 Molecular Weight (g/mol): 238.662 MDL Number: MFCD00044329 InChI Key: FHPNLCLHMNPLEW-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzhydryl chloride,4,4'-chloromethylene bis fluorobenzene,1,1'-chloromethylene bis 4-fluorobenzene,chlorobis 4-fluorophenyl methane,4,4'-difluorodiphenylmethylchloride,chloro bis-4-fluorophenyl methane,bis 4-fluorophenyl chloromethane,4,4'-difluorobenzhydrylchloride,1-chloro 4-fluorophenyl methyl-4-fluorobenzene,1-chloro-4-fluorophenyl methyl-4-fluorobenzene PubChem CID: 2723773 IUPAC Name: 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F

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Specifications

PubChem CID	2723773
CAS	27064-94-4
Molecular Weight (g/mol)	238.662
MDL Number	MFCD00044329
SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F
Synonym	4,4'-difluorobenzhydryl chloride,4,4'-chloromethylene bis fluorobenzene,1,1'-chloromethylene bis 4-fluorobenzene,chlorobis 4-fluorophenyl methane,4,4'-difluorodiphenylmethylchloride,chloro bis-4-fluorophenyl methane,bis 4-fluorophenyl chloromethane,4,4'-difluorobenzhydrylchloride,1-chloro 4-fluorophenyl methyl-4-fluorobenzene,1-chloro-4-fluorophenyl methyl-4-fluorobenzene
IUPAC Name	1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
InChI Key	FHPNLCLHMNPLEW-UHFFFAOYSA-N
Molecular Formula	C13H9ClF2

5,050

trans,trans-1,4-Diphenyl-1,3-butadiene 99.0+%, TCI America™

CAS: 886-65-7 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: 1e,3z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenylbutadiene,e,z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenyl-1,3-butadiene,1,3-butadiene, 1,4-diphenyl-, e,z,1,4-diphenyl-1,3-butadiene, 1e,3z,benzene,1'-1,3-butadiene-1,4-diyl bis,1z,3e-4-phenylbuta-1,3-dienyl benzene,benzene,1,1'-1,3-butadiene-1,4-diyl bis,1,4-diphenyl-1,3-butadiene e,z-form mi PubChem CID: 1551381 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dien-1-yl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1

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Specifications

PubChem CID	1551381
CAS	886-65-7
Molecular Weight (g/mol)	206.29
MDL Number	MFCD00004791
SMILES	C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
Synonym	1e,3z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenylbutadiene,e,z-1,4-diphenyl-1,3-butadiene,cis,trans-1,4-diphenyl-1,3-butadiene,1,3-butadiene, 1,4-diphenyl-, e,z,1,4-diphenyl-1,3-butadiene, 1e,3z,benzene,1'-1,3-butadiene-1,4-diyl bis,1z,3e-4-phenylbuta-1,3-dienyl benzene,benzene,1,1'-1,3-butadiene-1,4-diyl bis,1,4-diphenyl-1,3-butadiene e,z-form mi
IUPAC Name	[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]benzene
InChI Key	JFLKFZNIIQFQBS-FNCQTZNRSA-N
Molecular Formula	C16H14

5,051

2-Amino-4'-chlorobiphenyl 98.0+%, TCI America™

CAS: 1204-44-0 Molecular Formula: C12H10ClN Molecular Weight (g/mol): 203.669 MDL Number: MFCD03424659 InChI Key: JPBWZIPCMDZOPM-UHFFFAOYSA-N Synonym: 4′-Chloro-[1,1′-biphenyl]-2-amine PubChem CID: 262261 IUPAC Name: 2-(4-chlorophenyl)aniline SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N

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Specifications

PubChem CID	262261
CAS	1204-44-0
Molecular Weight (g/mol)	203.669
MDL Number	MFCD03424659
SMILES	C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
Synonym	4′-Chloro-[1,1′-biphenyl]-2-amine
IUPAC Name	2-(4-chlorophenyl)aniline
InChI Key	JPBWZIPCMDZOPM-UHFFFAOYSA-N
Molecular Formula	C12H10ClN

5,052

2-Chloro-5-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 328-87-0 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.564 InChI Key: LCISFYAQKHOWBP-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl benzonitrile,benzonitrile, 2-chloro-5-trifluoromethyl,4-chloro-3-cyanobenzotrifluoride,4-chloro-3-cyanobenzo trifluoride,4-chloro-3-cyanbenzotrifluoride,2-chloro-5-trifluoromethyl benzenecarbonitrile,ncr bg exfff,pubchem4749,acmc-1cq7c,ksc494q7d PubChem CID: 67604 IUPAC Name: 2-chloro-5-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)C#N)Cl

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Specifications

PubChem CID	67604
CAS	328-87-0
Molecular Weight (g/mol)	205.564
SMILES	C1=CC(=C(C=C1C(F)(F)F)C#N)Cl
Synonym	2-chloro-5-trifluoromethyl benzonitrile,benzonitrile, 2-chloro-5-trifluoromethyl,4-chloro-3-cyanobenzotrifluoride,4-chloro-3-cyanobenzo trifluoride,4-chloro-3-cyanbenzotrifluoride,2-chloro-5-trifluoromethyl benzenecarbonitrile,ncr bg exfff,pubchem4749,acmc-1cq7c,ksc494q7d
IUPAC Name	2-chloro-5-(trifluoromethyl)benzonitrile
InChI Key	LCISFYAQKHOWBP-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3N

5,053

3,5-Bis(methoxymethyloxy)benzyl Alcohol 98.0+%, TCI America™

CAS: 76280-60-9 Molecular Formula: C11H16O5 Molecular Weight (g/mol): 228.24 MDL Number: MFCD27928465 InChI Key: QZORVGYVDDOQNT-UHFFFAOYSA-N Synonym: [3,5-Bis(methoxymethoxy)phenyl]methanol PubChem CID: 10443751 IUPAC Name: [3,5-bis(methoxymethoxy)phenyl]methanol SMILES: COCOC1=CC(OCOC)=CC(CO)=C1

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Specifications

PubChem CID	10443751
CAS	76280-60-9
Molecular Weight (g/mol)	228.24
MDL Number	MFCD27928465
SMILES	COCOC1=CC(OCOC)=CC(CO)=C1
Synonym	[3,5-Bis(methoxymethoxy)phenyl]methanol
IUPAC Name	[3,5-bis(methoxymethoxy)phenyl]methanol
InChI Key	QZORVGYVDDOQNT-UHFFFAOYSA-N
Molecular Formula	C11H16O5

5,054

Tri-p-tolyl Phosphite, TCI America™

CAS: 620-42-8 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00041909 InChI Key: FEVFLQDDNUQKRY-UHFFFAOYSA-N Synonym: tri-p-tolyl phosphite,tri-p-cresyl phosphite,tris p-tolyl phosphite,tris p-methylphenyl phosphite,tritolyl phosphite,phosphorous acid, tris 4-methylphenyl ester,p-tolyl phosphite c7h7o 3p,tris 4-methylphenyl phosphite,phosphorous acid, tri-p-tolyl ester,tris methylphenyl phosphite PubChem CID: 12106 IUPAC Name: tris(4-methylphenyl) phosphite SMILES: CC1=CC=C(OP(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1

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Specifications

PubChem CID	12106
CAS	620-42-8
Molecular Weight (g/mol)	352.37
MDL Number	MFCD00041909
SMILES	CC1=CC=C(OP(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1
Synonym	tri-p-tolyl phosphite,tri-p-cresyl phosphite,tris p-tolyl phosphite,tris p-methylphenyl phosphite,tritolyl phosphite,phosphorous acid, tris 4-methylphenyl ester,p-tolyl phosphite c7h7o 3p,tris 4-methylphenyl phosphite,phosphorous acid, tri-p-tolyl ester,tris methylphenyl phosphite
IUPAC Name	tris(4-methylphenyl) phosphite
InChI Key	FEVFLQDDNUQKRY-UHFFFAOYSA-N
Molecular Formula	C21H21O3P

5,055

3-Bromo-2,6-dimethoxytoluene 97.0+%, TCI America™

CAS: 22794-95-2 Molecular Formula: C9H11BrO2 Molecular Weight (g/mol): 231.089 InChI Key: WXHZGDILTIFQDK-UHFFFAOYSA-N Synonym: 1-Bromo-2,4-dimethoxy-3-methylbenzene PubChem CID: 10889743 IUPAC Name: 1-bromo-2,4-dimethoxy-3-methylbenzene SMILES: CC1=C(C=CC(=C1OC)Br)OC

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Specifications

PubChem CID	10889743
CAS	22794-95-2
Molecular Weight (g/mol)	231.089
SMILES	CC1=C(C=CC(=C1OC)Br)OC
Synonym	1-Bromo-2,4-dimethoxy-3-methylbenzene
IUPAC Name	1-bromo-2,4-dimethoxy-3-methylbenzene
InChI Key	WXHZGDILTIFQDK-UHFFFAOYSA-N
Molecular Formula	C9H11BrO2

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