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

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

Chlorobenzene, 99+%, for spectroscopy

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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

Chlorobenzene, Spectrophotometric Grade, 99.9%

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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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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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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-Chlorophenethylalcohol, 98%

CAS: 19819-95-5 Molecular Formula: C₈H₉ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00002888 InChI Key: IWNHTCBFRSCBQK-UHFFFAOYSA-N Synonym: 2-2-chlorophenyl ethanol,2-chlorophenethyl alcohol,benzeneethanol, 2-chloro,2-chlorophenethylalcohol,2-2-chlorophenyl ethan-1-ol,o-chlorophenethyl alcohol,o-chlorophenethylic alcohol,o-chlorophenylmethylcarbinol,chlorobenzene-ethanol,2-chlorobenzeneethanol PubChem CID: 88266 IUPAC Name: 2-(2-chlorophenyl)ethanol SMILES: C1=CC=C(C(=C1)CCO)Cl

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Specifications

PubChem CID	88266
CAS	19819-95-5
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00002888
SMILES	C1=CC=C(C(=C1)CCO)Cl
Synonym	2-2-chlorophenyl ethanol,2-chlorophenethyl alcohol,benzeneethanol, 2-chloro,2-chlorophenethylalcohol,2-2-chlorophenyl ethan-1-ol,o-chlorophenethyl alcohol,o-chlorophenethylic alcohol,o-chlorophenylmethylcarbinol,chlorobenzene-ethanol,2-chlorobenzeneethanol
IUPAC Name	2-(2-chlorophenyl)ethanol
InChI Key	IWNHTCBFRSCBQK-UHFFFAOYSA-N
Molecular Formula	C₈H₉ClO

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4-Chlorophenyl isocyanate, 98%

CAS: 104-12-1 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00002024 InChI Key: ADAKRBAJFHTIEW-UHFFFAOYSA-N Synonym: 4-chlorophenyl isocyanate,p-chlorophenyl isocyanate,benzene, 1-chloro-4-isocyanato,pcpi,4-chloroisocyanatobenzene,para-chlorophenyl isocyanate,p-chlorfenylisokyanat,4-chlorophenylisocyanate,isocyanic acid, p-chlorophenyl ester,1-chloro-4-isocyanato-benzene PubChem CID: 7693 IUPAC Name: 1-chloro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)Cl

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Specifications

PubChem CID	7693
CAS	104-12-1
Molecular Weight (g/mol)	153.565
MDL Number	MFCD00002024
SMILES	C1=CC(=CC=C1N=C=O)Cl
Synonym	4-chlorophenyl isocyanate,p-chlorophenyl isocyanate,benzene, 1-chloro-4-isocyanato,pcpi,4-chloroisocyanatobenzene,para-chlorophenyl isocyanate,p-chlorfenylisokyanat,4-chlorophenylisocyanate,isocyanic acid, p-chlorophenyl ester,1-chloro-4-isocyanato-benzene
IUPAC Name	1-chloro-4-isocyanatobenzene
InChI Key	ADAKRBAJFHTIEW-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO

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4-Chloro-2-fluoroaniline, 98%

CAS: 57946-56-2 Molecular Formula: C6H5ClFN Molecular Weight (g/mol): 145.56 MDL Number: MFCD00010625 InChI Key: CSFDTBRRIBJILD-UHFFFAOYSA-N Synonym: 2-fluoro-4-chloroaniline,4-chloro-2-fluorobenzenamine,4-chloro-2-fluoro-phenylamine,benzenamine, 4-chloro-2-fluoro,4-chloro-2-fluoro-aniline,4-chloro-2-fluorophenylamine,pubchem1514,4-chloro-2fluoroaniline,4chloro-2-fluoroaniline,acmc-1at8a PubChem CID: 93898 IUPAC Name: 4-chloro-2-fluoroaniline SMILES: NC1=CC=C(Cl)C=C1F

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Specifications

PubChem CID	93898
CAS	57946-56-2
Molecular Weight (g/mol)	145.56
MDL Number	MFCD00010625
SMILES	NC1=CC=C(Cl)C=C1F
Synonym	2-fluoro-4-chloroaniline,4-chloro-2-fluorobenzenamine,4-chloro-2-fluoro-phenylamine,benzenamine, 4-chloro-2-fluoro,4-chloro-2-fluoro-aniline,4-chloro-2-fluorophenylamine,pubchem1514,4-chloro-2fluoroaniline,4chloro-2-fluoroaniline,acmc-1at8a
IUPAC Name	4-chloro-2-fluoroaniline
InChI Key	CSFDTBRRIBJILD-UHFFFAOYSA-N
Molecular Formula	C6H5ClFN

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(S)-(-)-1-(4-Chlorophenyl)ethylamine, ChiPros™ 94%

CAS: 4187-56-8 Molecular Formula: C8H10ClN Molecular Weight (g/mol): 155.625 MDL Number: MFCD00671640 InChI Key: PINPOEWMCLFRRB-LURJTMIESA-N Synonym: s-1-4-chlorophenyl ethylamine,s-1-4-chlorophenyl ethanamine,1s-1-4-chlorophenyl ethanamine,s-4-chloro-alpha-methylbenzylamine,s---1-4-chlorophenyl ethylamine,1s-1-4-chlorophenyl ethan-1-amine,pubchem15221,s-4-chloro-,a-methylbenzylamine,1s-1-4-chlorophenyl ethylamine,s-1-4-chloro-phenyl ethylamine PubChem CID: 1550852 IUPAC Name: (1S)-1-(4-chlorophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Cl)N

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Specifications

PubChem CID	1550852
CAS	4187-56-8
Molecular Weight (g/mol)	155.625
MDL Number	MFCD00671640
SMILES	CC(C1=CC=C(C=C1)Cl)N
Synonym	s-1-4-chlorophenyl ethylamine,s-1-4-chlorophenyl ethanamine,1s-1-4-chlorophenyl ethanamine,s-4-chloro-alpha-methylbenzylamine,s---1-4-chlorophenyl ethylamine,1s-1-4-chlorophenyl ethan-1-amine,pubchem15221,s-4-chloro-,a-methylbenzylamine,1s-1-4-chlorophenyl ethylamine,s-1-4-chloro-phenyl ethylamine
IUPAC Name	(1S)-1-(4-chlorophenyl)ethanamine
InChI Key	PINPOEWMCLFRRB-LURJTMIESA-N
Molecular Formula	C8H10ClN

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3-chloro-5-fluoroaniline, 97%

CAS: 4863-91-6 Molecular Formula: C₆H₅ClFN Molecular Weight (g/mol): 145.56 MDL Number: MFCD03407962 InChI Key: LPIFAHAICWJMRR-UHFFFAOYSA-N Synonym: pubchem2953,acmc-209kdj,3-chloro-5-fluorobenzenamine,5-chloro-3-fluorophenylamine,ksc493m9f,3-chloro-5-fluoro-phenylamine,buttpark 44\01-96 PubChem CID: 2734838 IUPAC Name: 3-chloro-5-fluoroaniline SMILES: C1=C(C=C(C=C1F)Cl)N

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Specifications

PubChem CID	2734838
CAS	4863-91-6
Molecular Weight (g/mol)	145.56
MDL Number	MFCD03407962
SMILES	C1=C(C=C(C=C1F)Cl)N
Synonym	pubchem2953,acmc-209kdj,3-chloro-5-fluorobenzenamine,5-chloro-3-fluorophenylamine,ksc493m9f,3-chloro-5-fluoro-phenylamine,buttpark 44\01-96
IUPAC Name	3-chloro-5-fluoroaniline
InChI Key	LPIFAHAICWJMRR-UHFFFAOYSA-N
Molecular Formula	C₆H₅ClFN

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alpha-Bromo-4-chlorophenylacetic acid, 97%

CAS: 3381-73-5 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD08276760 InChI Key: KKOAAWLOOHBFQP-UHFFFAOYNA-N Synonym: 2-bromo-2-4-chlorophenyl acetic acid,alpha-bromo-4-chlorophenylacetic acid,bromo 4-chlorophenyl acetic acid,acmc-1ct0u,bromo-4-chlorophenyl acetic acid,bromo-4-chloro-phenyl acetic acid,bromo-4-chloro-phenyl-acetic acid,2-bromo-2-4-chlorophenyl aceticacid,alpha-bromo-p-chloro phenylacetic acid,alpha-bromo-p-chlorophenyl acetic acid PubChem CID: 10490868 IUPAC Name: 2-bromo-2-(4-chlorophenyl)acetic acid SMILES: OC(=O)C(Br)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	10490868
CAS	3381-73-5
Molecular Weight (g/mol)	249.49
MDL Number	MFCD08276760
SMILES	OC(=O)C(Br)C1=CC=C(Cl)C=C1
Synonym	2-bromo-2-4-chlorophenyl acetic acid,alpha-bromo-4-chlorophenylacetic acid,bromo 4-chlorophenyl acetic acid,acmc-1ct0u,bromo-4-chlorophenyl acetic acid,bromo-4-chloro-phenyl acetic acid,bromo-4-chloro-phenyl-acetic acid,2-bromo-2-4-chlorophenyl aceticacid,alpha-bromo-p-chloro phenylacetic acid,alpha-bromo-p-chlorophenyl acetic acid
IUPAC Name	2-bromo-2-(4-chlorophenyl)acetic acid
InChI Key	KKOAAWLOOHBFQP-UHFFFAOYNA-N
Molecular Formula	C8H6BrClO2

Proguanil hydrochloride, 97%

CAS: 637-32-1 Molecular Formula: C₁₁H₁₆ClN₅·HCl Molecular Weight (g/mol): 290.19 InChI Key: SARMGXPVOFNNNG-UHFFFAOYSA-N Synonym: proguanil hydrochloride,diguanyl,paludrine,proguanil hcl,chlorguanide hydrochloride,chloroquanil,bigumalum,chloroguanide hydrochloride,tirian hydrochloride,palusil hydrochloride PubChem CID: 9570076 IUPAC Name: (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride SMILES: CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl

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Specifications

PubChem CID	9570076
CAS	637-32-1
Molecular Weight (g/mol)	290.19
SMILES	CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl
Synonym	proguanil hydrochloride,diguanyl,paludrine,proguanil hcl,chlorguanide hydrochloride,chloroquanil,bigumalum,chloroguanide hydrochloride,tirian hydrochloride,palusil hydrochloride
IUPAC Name	(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
InChI Key	SARMGXPVOFNNNG-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆ClN₅·HCl

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1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid, 98%, Thermo Scientific™

CAS: 80789-69-1 Molecular Formula: C₁₂H₁₃ClO₂ Molecular Weight (g/mol): 224.69 MDL Number: MFCD00001373 InChI Key: QJNFJEMGWIQMJT-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl cyclopentanecarboxylic acid,1-4-chlorophenyl-1-cyclopentanecarboxylic acid,1-4-chlorophenyl cyclopentane-1-carboxylic acid,cyclopentanecarboxylic acid, 1-4-chlorophenyl,asischem d50961,timtec-bb sbb000649,acmc-209pk2,labotest-bb lt00453384,1-4-chloro phenyl cyclopentanecarboxylic acid,1-4-chloro-phenyl-cyclopentylcarboxylic acid PubChem CID: 97447 IUPAC Name: 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid SMILES: C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)O

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Specifications

PubChem CID	97447
CAS	80789-69-1
Molecular Weight (g/mol)	224.69
MDL Number	MFCD00001373
SMILES	C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)O
Synonym	1-4-chlorophenyl cyclopentanecarboxylic acid,1-4-chlorophenyl-1-cyclopentanecarboxylic acid,1-4-chlorophenyl cyclopentane-1-carboxylic acid,cyclopentanecarboxylic acid, 1-4-chlorophenyl,asischem d50961,timtec-bb sbb000649,acmc-209pk2,labotest-bb lt00453384,1-4-chloro phenyl cyclopentanecarboxylic acid,1-4-chloro-phenyl-cyclopentylcarboxylic acid
IUPAC Name	1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
InChI Key	QJNFJEMGWIQMJT-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₃ClO₂

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4-Chlorophenylboronic 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

Chlorobenzene

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