Chlorobenzene

Chlorobenzene is a toxic, flammable, volatile, aromatic, organic liquid with the chemical formula C6H5Cl. Available in a variety of quantities and purities, it is a common solvent and a widely used intermediate in the manufacture of other chemicals.

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Chlorobenzene (Laboratory), Fisher Chemical™

CAS: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 112.556 MDL Number: MFCD00000530 InChI Key: MVPPADPHJFYWMZ-UHFFFAOYSA-N Synonym: monochlorobenzene,benzene chloride,phenyl chloride,benzene, chloro,chlorbenzene,chlorobenzol,monochlorbenzol,chlorbenzol,chlorobenzen,clorobenzene PubChem CID: 7964 ChEBI: CHEBI:28097 IUPAC Name: chlorobenzene SMILES: C1=CC=C(C=C1)Cl

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Specifications

PubChem CID	7964
CAS	108-90-7
Molecular Weight (g/mol)	112.556
ChEBI	CHEBI:28097
MDL Number	MFCD00000530
SMILES	C1=CC=C(C=C1)Cl
Synonym	monochlorobenzene,benzene chloride,phenyl chloride,benzene, chloro,chlorbenzene,chlorobenzol,monochlorbenzol,chlorbenzol,chlorobenzen,clorobenzene
IUPAC Name	chlorobenzene
InChI Key	MVPPADPHJFYWMZ-UHFFFAOYSA-N
Molecular Formula	C6H5Cl

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1,2,4-Trichlorobenzene (HPLC), Fisher Chemical

CAS: 120-82-1 Molecular Formula: C6H3Cl3 Molecular Weight (g/mol): 181.44 MDL Number: MFCD00000547 InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

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Specifications

PubChem CID	13
CAS	120-82-1
Molecular Weight (g/mol)	181.44
ChEBI	CHEBI:28222
MDL Number	MFCD00000547
SMILES	C1=CC(=C(C=C1Cl)Cl)Cl
Synonym	benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene
IUPAC Name	1,2,4-trichlorobenzene
InChI Key	PBKONEOXTCPAFI-UHFFFAOYSA-N
Molecular Formula	C6H3Cl3

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2-Amino-5-chlorobenzonitrile, 97%

CAS: 5922-60-1 Molecular Formula: C7H5ClN2 Molecular Weight (g/mol): 152.58 MDL Number: MFCD00017106 InChI Key: QYRDWARBHMCOAG-UHFFFAOYSA-N Synonym: 5-chloroanthranilonitrile,benzonitrile, 2-amino-5-chloro,anthranilonitrile, 5-chloro,2-amino-5-chloro-benzonitrile,4-chloro-2-cyanoaniline,unii-gy0x0082qb,2-amino-5-chloro benzonitrile,amino 2-5-chloro-benzonitrile,2-amino-5-chlorobenzenecarbonitrile,acbn PubChem CID: 80019 IUPAC Name: 2-amino-5-chlorobenzonitrile SMILES: NC1=CC=C(Cl)C=C1C#N

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Specifications

PubChem CID	80019
CAS	5922-60-1
Molecular Weight (g/mol)	152.58
MDL Number	MFCD00017106
SMILES	NC1=CC=C(Cl)C=C1C#N
Synonym	5-chloroanthranilonitrile,benzonitrile, 2-amino-5-chloro,anthranilonitrile, 5-chloro,2-amino-5-chloro-benzonitrile,4-chloro-2-cyanoaniline,unii-gy0x0082qb,2-amino-5-chloro benzonitrile,amino 2-5-chloro-benzonitrile,2-amino-5-chlorobenzenecarbonitrile,acbn
IUPAC Name	2-amino-5-chlorobenzonitrile
InChI Key	QYRDWARBHMCOAG-UHFFFAOYSA-N
Molecular Formula	C7H5ClN2

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5-Amino-3-(4-chlorophenyl)-1,2,4-thiadiazole, 96%

CAS: 19922-07-7 Molecular Formula: C8H6ClN3S Molecular Weight (g/mol): 211.667 MDL Number: MFCD07357326 InChI Key: IUSHKZWNRIGLGO-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl-1,2,4-thiadiazol-5-amine,1,2,4-thiadiazol-5-amine,3-4-chlorophenyl,5-amino-3-4-chlorophenyl-1,2,4-thiadiazole,chlorophenylthiadiazolamine,3-4-chlorophenyl-1,2,4-thiadiazole-5-ylamine PubChem CID: 23331270 IUPAC Name: 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine SMILES: C1=CC(=CC=C1C2=NSC(=N2)N)Cl

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Specifications

PubChem CID	23331270
CAS	19922-07-7
Molecular Weight (g/mol)	211.667
MDL Number	MFCD07357326
SMILES	C1=CC(=CC=C1C2=NSC(=N2)N)Cl
Synonym	3-4-chlorophenyl-1,2,4-thiadiazol-5-amine,1,2,4-thiadiazol-5-amine,3-4-chlorophenyl,5-amino-3-4-chlorophenyl-1,2,4-thiadiazole,chlorophenylthiadiazolamine,3-4-chlorophenyl-1,2,4-thiadiazole-5-ylamine
IUPAC Name	3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine
InChI Key	IUSHKZWNRIGLGO-UHFFFAOYSA-N
Molecular Formula	C8H6ClN3S

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3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid, 98%

CAS: 23598-72-3 Molecular Formula: C11H8ClNO3 Molecular Weight (g/mol): 237.64 MDL Number: MFCD00020813 InChI Key: UVEPOHNXGXVOJE-UHFFFAOYSA-N Synonym: 3-2-chlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2'-chlorophenyl-4-isoxazolecarboxylic acid,3-2-chlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-2-chlorophenyl-5-methyl,3-2-chloro-phenyl-5-methyl-isoxazole-4-carboxylic acid,3-2-chlorophenyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-o-chlorophenyl-5-methyl,4-carboxy-3-2-chlorophenyl-5-methylisoxazole,3 2-chlorophenyl-5-methyl-isoxazolyl-4-carboxylic acid,5-methyl-3-2-chlorophenyl-4-isoxazolecarboxylic acid PubChem CID: 90203 IUPAC Name: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=CC=CC=C1Cl

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Specifications

PubChem CID	90203
CAS	23598-72-3
Molecular Weight (g/mol)	237.64
MDL Number	MFCD00020813
SMILES	CC1=C(C(O)=O)C(=NO1)C1=CC=CC=C1Cl
Synonym	3-2-chlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2'-chlorophenyl-4-isoxazolecarboxylic acid,3-2-chlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-2-chlorophenyl-5-methyl,3-2-chloro-phenyl-5-methyl-isoxazole-4-carboxylic acid,3-2-chlorophenyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-o-chlorophenyl-5-methyl,4-carboxy-3-2-chlorophenyl-5-methylisoxazole,3 2-chlorophenyl-5-methyl-isoxazolyl-4-carboxylic acid,5-methyl-3-2-chlorophenyl-4-isoxazolecarboxylic acid
IUPAC Name	3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key	UVEPOHNXGXVOJE-UHFFFAOYSA-N
Molecular Formula	C11H8ClNO3

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4-Chlorobenzyl isothiocyanate, 97%

CAS: 3694-45-9 Molecular Formula: C8H6ClNS Molecular Weight (g/mol): 183.653 MDL Number: MFCD00041116 InChI Key: DEHXIHUIYSXZNH-UHFFFAOYSA-N Synonym: 4-chlorobenzyl isothiocyanate,1-chloro-4-isothiocyanatomethyl benzene,p-chlorobenzyl isothiocyanate,benzene, 1-chloro-4-isothiocyanatomethyl,isothiocyanic acid, p-chlorobenzyl ester,4-chlorobenzylisothiocyanate,benzene, 1-chloro-4-isothiocyanatomethyl-9ci,acmc-1cng5,wln: scn1r dg,p-chlorobenzylisothiocyanate PubChem CID: 19408 IUPAC Name: 1-chloro-4-(isothiocyanatomethyl)benzene SMILES: C1=CC(=CC=C1CN=C=S)Cl

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Specifications

PubChem CID	19408
CAS	3694-45-9
Molecular Weight (g/mol)	183.653
MDL Number	MFCD00041116
SMILES	C1=CC(=CC=C1CN=C=S)Cl
Synonym	4-chlorobenzyl isothiocyanate,1-chloro-4-isothiocyanatomethyl benzene,p-chlorobenzyl isothiocyanate,benzene, 1-chloro-4-isothiocyanatomethyl,isothiocyanic acid, p-chlorobenzyl ester,4-chlorobenzylisothiocyanate,benzene, 1-chloro-4-isothiocyanatomethyl-9ci,acmc-1cng5,wln: scn1r dg,p-chlorobenzylisothiocyanate
IUPAC Name	1-chloro-4-(isothiocyanatomethyl)benzene
InChI Key	DEHXIHUIYSXZNH-UHFFFAOYSA-N
Molecular Formula	C8H6ClNS

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4-Chlorobenzeneboronic acid pinacol ester, 97%

CAS: 195062-61-4 Molecular Formula: C12H16BClO2 Molecular Weight (g/mol): 238.52 MDL Number: MFCD05663875 InChI Key: NYARTXMDWRAVIX-UHFFFAOYSA-N PubChem CID: 10633712 IUPAC Name: 2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	10633712
CAS	195062-61-4
Molecular Weight (g/mol)	238.52
MDL Number	MFCD05663875
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(Cl)C=C1
IUPAC Name	2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	NYARTXMDWRAVIX-UHFFFAOYSA-N
Molecular Formula	C12H16BClO2

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3-Chloro-4-fluorobenzonitrile, 98+%

CAS: 117482-84-5 Molecular Formula: C7H3ClFN Molecular Weight (g/mol): 155.556 MDL Number: MFCD00015431 InChI Key: VAHXXQJJZKBZDX-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoro-benzonitrile,benzonitrile, 3-chloro-4-fluoro,3-chloro-4-fluorobenzenecarbonitrile,pubchem1561,acmc-1bnmf,3-chloro-4-florobenzonitrile,3-chloro-4-fluorobenzontrile,ksc174m4n,3-chloro,4-fluorobenzonitrile,3-chloro4-fluorobenzo-nitrile PubChem CID: 145525 IUPAC Name: 3-chloro-4-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)Cl)F

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Specifications

PubChem CID	145525
CAS	117482-84-5
Molecular Weight (g/mol)	155.556
MDL Number	MFCD00015431
SMILES	C1=CC(=C(C=C1C#N)Cl)F
Synonym	3-chloro-4-fluoro-benzonitrile,benzonitrile, 3-chloro-4-fluoro,3-chloro-4-fluorobenzenecarbonitrile,pubchem1561,acmc-1bnmf,3-chloro-4-florobenzonitrile,3-chloro-4-fluorobenzontrile,ksc174m4n,3-chloro,4-fluorobenzonitrile,3-chloro4-fluorobenzo-nitrile
IUPAC Name	3-chloro-4-fluorobenzonitrile
InChI Key	VAHXXQJJZKBZDX-UHFFFAOYSA-N
Molecular Formula	C7H3ClFN

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5-Chloro-m-phenylenediamine, 97%

CAS: 33786-89-9 Molecular Formula: C6H7ClN2 Molecular Weight (g/mol): 142.586 MDL Number: MFCD00014775 InChI Key: VZNUCJOYPXKLTA-UHFFFAOYSA-N Synonym: 5-chloro-m-phenylenediamine,3,5-diaminochlorobenzene,5-chloro-1,3-benzenediamine,1,3-benzenediamine, 5-chloro,5-chloro-1,3-phenylenediamine,ccris 2886,5-amino-3-chloroaniline,acmc-20am42,2-13-00-00029 beilstein handbook reference,5-chloro-1,3-diaminobenzene PubChem CID: 73335 IUPAC Name: 5-chlorobenzene-1,3-diamine SMILES: C1=C(C=C(C=C1N)Cl)N

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Specifications

PubChem CID	73335
CAS	33786-89-9
Molecular Weight (g/mol)	142.586
MDL Number	MFCD00014775
SMILES	C1=C(C=C(C=C1N)Cl)N
Synonym	5-chloro-m-phenylenediamine,3,5-diaminochlorobenzene,5-chloro-1,3-benzenediamine,1,3-benzenediamine, 5-chloro,5-chloro-1,3-phenylenediamine,ccris 2886,5-amino-3-chloroaniline,acmc-20am42,2-13-00-00029 beilstein handbook reference,5-chloro-1,3-diaminobenzene
IUPAC Name	5-chlorobenzene-1,3-diamine
InChI Key	VZNUCJOYPXKLTA-UHFFFAOYSA-N
Molecular Formula	C6H7ClN2

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2-Bromo-4-chlorotoluene, 98%

CAS: 27139-97-5 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00060650 InChI Key: CSUUXPHPCXHYGY-UHFFFAOYSA-N Synonym: 2-bromo-4-chlorotoluene,benzene, 2-bromo-4-chloro-1-methyl,4-chloro-2-bromotoluene,toluene, 2-bromo-4-chloro,p-chlor brom toluol,pubchem3599,acmc-209gvg,2-bromo-4-chloro toluene,2-bromo-4-chloro-toluene,ksc493k9b PubChem CID: 609898 IUPAC Name: 2-bromo-4-chloro-1-methylbenzene SMILES: CC1=C(Br)C=C(Cl)C=C1

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Specifications

PubChem CID	609898
CAS	27139-97-5
Molecular Weight (g/mol)	205.48
MDL Number	MFCD00060650
SMILES	CC1=C(Br)C=C(Cl)C=C1
Synonym	2-bromo-4-chlorotoluene,benzene, 2-bromo-4-chloro-1-methyl,4-chloro-2-bromotoluene,toluene, 2-bromo-4-chloro,p-chlor brom toluol,pubchem3599,acmc-209gvg,2-bromo-4-chloro toluene,2-bromo-4-chloro-toluene,ksc493k9b
IUPAC Name	2-bromo-4-chloro-1-methylbenzene
InChI Key	CSUUXPHPCXHYGY-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

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Potassium tetrakis(4-chlorophenyl)borate, 98%

CAS: 14680-77-4 Molecular Formula: C24H16BCl4K Molecular Weight (g/mol): 496.10 MDL Number: MFCD00043105 InChI Key: VHPYLDPFVZBNQT-UHFFFAOYSA-N Synonym: potassium tetrakis 4-chlorophenyl borate,tetrakis 4-chlorophenyl boron potassium,k-tcpb,potassium tetrakis 4-chlorophenyl boranuide,potassium tetrakis 4-chlorophenyl borate, selectophore tm PubChem CID: 23679691 IUPAC Name: potassium;tetrakis(4-chlorophenyl)boranuide SMILES: [B+3].[K+].ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1

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Specifications

PubChem CID	23679691
CAS	14680-77-4
Molecular Weight (g/mol)	496.10
MDL Number	MFCD00043105
SMILES	[B+3].[K+].ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1.ClC1=CC=C[C-]=C1
Synonym	potassium tetrakis 4-chlorophenyl borate,tetrakis 4-chlorophenyl boron potassium,k-tcpb,potassium tetrakis 4-chlorophenyl boranuide,potassium tetrakis 4-chlorophenyl borate, selectophore tm
IUPAC Name	potassium;tetrakis(4-chlorophenyl)boranuide
InChI Key	VHPYLDPFVZBNQT-UHFFFAOYSA-N
Molecular Formula	C24H16BCl4K

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4-Chloro-5-fluoro-o-phenylenediamine, 98%

CAS: 139512-70-2 Molecular Formula: C6H6ClFN2 Molecular Weight (g/mol): 160.58 MDL Number: MFCD00042485 InChI Key: BSMPRJISGCTCDC-UHFFFAOYSA-N PubChem CID: 735773 IUPAC Name: 4-chloro-5-fluorobenzene-1,2-diamine SMILES: NC1=CC(F)=C(Cl)C=C1N

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Specifications

PubChem CID	735773
CAS	139512-70-2
Molecular Weight (g/mol)	160.58
MDL Number	MFCD00042485
SMILES	NC1=CC(F)=C(Cl)C=C1N
IUPAC Name	4-chloro-5-fluorobenzene-1,2-diamine
InChI Key	BSMPRJISGCTCDC-UHFFFAOYSA-N
Molecular Formula	C6H6ClFN2

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1-Bromo-2-chlorobenzene, 98+%

CAS: 694-80-4 Molecular Formula: C6H4BrCl Molecular Weight (g/mol): 191.452 MDL Number: MFCD00000532 InChI Key: QBELEDRHMPMKHP-UHFFFAOYSA-N Synonym: 2-bromochlorobenzene,o-bromochlorobenzene,2-chlorobromobenzene,o-chlorobromobenzene,benzene, 1-bromo-2-chloro,2-bromo-1-chlorobenzene,1-chloro-2-bromobenzene,benzene, bromochloro,unii-pec7z3yx6p,1-bromo-2-chloro-benzene PubChem CID: 12754 IUPAC Name: 1-bromo-2-chlorobenzene SMILES: C1=CC=C(C(=C1)Cl)Br

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Specifications

PubChem CID	12754
CAS	694-80-4
Molecular Weight (g/mol)	191.452
MDL Number	MFCD00000532
SMILES	C1=CC=C(C(=C1)Cl)Br
Synonym	2-bromochlorobenzene,o-bromochlorobenzene,2-chlorobromobenzene,o-chlorobromobenzene,benzene, 1-bromo-2-chloro,2-bromo-1-chlorobenzene,1-chloro-2-bromobenzene,benzene, bromochloro,unii-pec7z3yx6p,1-bromo-2-chloro-benzene
IUPAC Name	1-bromo-2-chlorobenzene
InChI Key	QBELEDRHMPMKHP-UHFFFAOYSA-N
Molecular Formula	C6H4BrCl

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2-Chlorobenzeneboronic acid, 97%

CAS: 3900-89-8 Molecular Formula: C6H6BClO2 Molecular Weight (g/mol): 156.37 MDL Number: MFCD00674012 InChI Key: RRCMGJCFMJBHQC-UHFFFAOYSA-N Synonym: 2-chlorophenyl boronic acid,2-chlorobenzeneboronic acid,2-chlorophenylboronicacid,2-chlorophenylbornic acid,o-chlorophenylboronic acid,2-chlorophenyl boranediol,boronic acid, 2-chlorophenyl,2-chloro-phenyl-boronic acid,boronic acid, b-2-chlorophenyl PubChem CID: 2734322 IUPAC Name: (2-chlorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Cl

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Specifications

PubChem CID	2734322
CAS	3900-89-8
Molecular Weight (g/mol)	156.37
MDL Number	MFCD00674012
SMILES	OB(O)C1=CC=CC=C1Cl
Synonym	2-chlorophenyl boronic acid,2-chlorobenzeneboronic acid,2-chlorophenylboronicacid,2-chlorophenylbornic acid,o-chlorophenylboronic acid,2-chlorophenyl boranediol,boronic acid, 2-chlorophenyl,2-chloro-phenyl-boronic acid,boronic acid, b-2-chlorophenyl
IUPAC Name	(2-chlorophenyl)boronic acid
InChI Key	RRCMGJCFMJBHQC-UHFFFAOYSA-N
Molecular Formula	C6H6BClO2

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1,3-Dibromo-5-chlorobenzene, 98%, Thermo Scientific Chemicals

CAS: 14862-52-3 Molecular Formula: C6H3Br2Cl Molecular Weight (g/mol): 270.348 MDL Number: MFCD00070765 InChI Key: FNKCOUREFBNNHG-UHFFFAOYSA-N Synonym: 3,5-dibromochlorobenzene,1-chloro-3,5-dibromobenzene,benzene, 1,3-dibromo-5-chloro,pubchem3634,ambsclk-224,intermediates-zcf02139,ksc181m3d,1,3-dibromo-5-chloro-benzene,tpc-i027,fnkcourefbnnhg-uhfffaoysa PubChem CID: 84676 IUPAC Name: 1,3-dibromo-5-chlorobenzene SMILES: C1=C(C=C(C=C1Br)Br)Cl

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Specifications

PubChem CID	84676
CAS	14862-52-3
Molecular Weight (g/mol)	270.348
MDL Number	MFCD00070765
SMILES	C1=C(C=C(C=C1Br)Br)Cl
Synonym	3,5-dibromochlorobenzene,1-chloro-3,5-dibromobenzene,benzene, 1,3-dibromo-5-chloro,pubchem3634,ambsclk-224,intermediates-zcf02139,ksc181m3d,1,3-dibromo-5-chloro-benzene,tpc-i027,fnkcourefbnnhg-uhfffaoysa
IUPAC Name	1,3-dibromo-5-chlorobenzene
InChI Key	FNKCOUREFBNNHG-UHFFFAOYSA-N
Molecular Formula	C6H3Br2Cl

Chlorobenzene

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