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

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

Ethyl 4-chlorophenylacetate, 98+%

CAS: 14062-24-9 MDL Number: MFCD00018791 InChI Key: UTWBWFXECVFDPZ-UHFFFAOYSA-N Synonym: ethyl 4-chlorophenylacetate,ethyl 4-chlorophenyl acetate,ethyl 2-4-chlorophenyl acetate,4-chlorophenyl acetic acid ethyl ester,ethyl p-chlorophenylacetate,benzeneacetic acid, 4-chloro-, ethyl ester,4-chloro-phenyl-acetic acid ethyl ester,ethyl 4-chloro-phenylacetate,ksc522e5p PubChem CID: 84177 IUPAC Name: ethyl 2-(4-chlorophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)Cl

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Specifications

PubChem CID	84177
CAS	14062-24-9
MDL Number	MFCD00018791
SMILES	CCOC(=O)CC1=CC=C(C=C1)Cl
Synonym	ethyl 4-chlorophenylacetate,ethyl 4-chlorophenyl acetate,ethyl 2-4-chlorophenyl acetate,4-chlorophenyl acetic acid ethyl ester,ethyl p-chlorophenylacetate,benzeneacetic acid, 4-chloro-, ethyl ester,4-chloro-phenyl-acetic acid ethyl ester,ethyl 4-chloro-phenylacetate,ksc522e5p
IUPAC Name	ethyl 2-(4-chlorophenyl)acetate
InChI Key	UTWBWFXECVFDPZ-UHFFFAOYSA-N

(R)-1-(4-Chlorophenyl)ethylamine, 97%, 98% ee

CAS: 27298-99-3 Molecular Formula: C₈H₁₀ClN Molecular Weight (g/mol): 155.63 MDL Number: MFCD00671639 InChI Key: PINPOEWMCLFRRB-ZCFIWIBFSA-N Synonym: r-1-4-chlorophenyl ethylamine,r-1-4-chlorophenyl ethanamine,1r-1-4-chlorophenyl ethanamine,r-+-1-4-chlorophenyl ethylamine,1r-1-4-chlorophenyl ethan-1-amine,benzenemethanamine, 4-chloro-alpha-methyl-, alphar,pubchem15222,r-4-chloro-,a-methylbenzylamine,1r-1-4-chlorophenyl ethylamine,r-1-4-chloro-phenyl ethylamine PubChem CID: 1715226 IUPAC Name: (1R)-1-(4-chlorophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Cl)N

Pricing and Availability
Specifications

PubChem CID	1715226
CAS	27298-99-3
Molecular Weight (g/mol)	155.63
MDL Number	MFCD00671639
SMILES	CC(C1=CC=C(C=C1)Cl)N
Synonym	r-1-4-chlorophenyl ethylamine,r-1-4-chlorophenyl ethanamine,1r-1-4-chlorophenyl ethanamine,r-+-1-4-chlorophenyl ethylamine,1r-1-4-chlorophenyl ethan-1-amine,benzenemethanamine, 4-chloro-alpha-methyl-, alphar,pubchem15222,r-4-chloro-,a-methylbenzylamine,1r-1-4-chlorophenyl ethylamine,r-1-4-chloro-phenyl ethylamine
IUPAC Name	(1R)-1-(4-chlorophenyl)ethanamine
InChI Key	PINPOEWMCLFRRB-ZCFIWIBFSA-N
Molecular Formula	C₈H₁₀ClN

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

Pricing and Availability
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

1-Chloro-4-ethynylbenzene, 98%

CAS: 873-73-4 Molecular Formula: C₈H₅Cl Molecular Weight (g/mol): 136.58 MDL Number: MFCD00191917 InChI Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N Synonym: 4-chlorophenylacetylene,benzene, 1-chloro-4-ethynyl,4'-chlorophenyl acetylene,4-chlorophenyl acetylene,1-chloro-4-ethynyl-benzene,p-ethynylchlorobenzene,p-chlorophenylacetylene,p-chlorophenyl acetylene,1-chlor-4-ethinylbenzol,4-chlorophenylethyne PubChem CID: 70118 IUPAC Name: 1-chloro-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Cl

Pricing and Availability
Specifications

PubChem CID	70118
CAS	873-73-4
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00191917
SMILES	C#CC1=CC=C(C=C1)Cl
Synonym	4-chlorophenylacetylene,benzene, 1-chloro-4-ethynyl,4'-chlorophenyl acetylene,4-chlorophenyl acetylene,1-chloro-4-ethynyl-benzene,p-ethynylchlorobenzene,p-chlorophenylacetylene,p-chlorophenyl acetylene,1-chlor-4-ethinylbenzol,4-chlorophenylethyne
IUPAC Name	1-chloro-4-ethynylbenzene
InChI Key	LFZJRTMTKGYJRS-UHFFFAOYSA-N
Molecular Formula	C₈H₅Cl

2-Chlorobenzyl isothiocyanate, 97%

CAS: 18967-44-7 Molecular Formula: C8H6ClNS Molecular Weight (g/mol): 183.653 MDL Number: MFCD00041110 InChI Key: RMVDNJDSLXQPAV-UHFFFAOYSA-N Synonym: 2-chlorobenzyl isothiocyanate,1-chloro-2-isothiocyanatomethyl benzene,benzene, 1-chloro-2-isothiocyanatomethyl,isothiocyanic acid, o-chlorobenzyl ester,acmc-20any0,wln: scn1r bg,2-chlorobenzylisothiocyanate,flc 2-chlorobenzyl isothiocyanate,2-chlorophenyl methanisothiocyanate,1-chloranyl-2-isothiocyanatomethyl benzene PubChem CID: 29351 IUPAC Name: 1-chloro-2-(isothiocyanatomethyl)benzene SMILES: C1=CC=C(C(=C1)CN=C=S)Cl

Pricing and Availability
Specifications

PubChem CID	29351
CAS	18967-44-7
Molecular Weight (g/mol)	183.653
MDL Number	MFCD00041110
SMILES	C1=CC=C(C(=C1)CN=C=S)Cl
Synonym	2-chlorobenzyl isothiocyanate,1-chloro-2-isothiocyanatomethyl benzene,benzene, 1-chloro-2-isothiocyanatomethyl,isothiocyanic acid, o-chlorobenzyl ester,acmc-20any0,wln: scn1r bg,2-chlorobenzylisothiocyanate,flc 2-chlorobenzyl isothiocyanate,2-chlorophenyl methanisothiocyanate,1-chloranyl-2-isothiocyanatomethyl benzene
IUPAC Name	1-chloro-2-(isothiocyanatomethyl)benzene
InChI Key	RMVDNJDSLXQPAV-UHFFFAOYSA-N
Molecular Formula	C8H6ClNS

4-Chloro-2-fluorobenzonitrile, 98+%

CAS: 57381-51-8 Molecular Formula: C7H3ClFN Molecular Weight (g/mol): 155.556 MDL Number: MFCD00143284 InChI Key: JRDMGVGCATYZPW-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzonitrile,4-chloro-2-fluoro-benzonitrile,benzonitrile, 4-chloro-2-fluoro,4-chloro-2-fluorobenzenecarbonitrile,ncr dg bf,pubchem3424,1-chloro-3-fluorobezene,acmc-1b0zj,ksc493o3h PubChem CID: 93655 IUPAC Name: 4-chloro-2-fluorobenzonitrile SMILES: C1=CC(=C(C=C1Cl)F)C#N

Pricing and Availability
Specifications

PubChem CID	93655
CAS	57381-51-8
Molecular Weight (g/mol)	155.556
MDL Number	MFCD00143284
SMILES	C1=CC(=C(C=C1Cl)F)C#N
Synonym	2-fluoro-4-chlorobenzonitrile,4-chloro-2-fluoro-benzonitrile,benzonitrile, 4-chloro-2-fluoro,4-chloro-2-fluorobenzenecarbonitrile,ncr dg bf,pubchem3424,1-chloro-3-fluorobezene,acmc-1b0zj,ksc493o3h
IUPAC Name	4-chloro-2-fluorobenzonitrile
InChI Key	JRDMGVGCATYZPW-UHFFFAOYSA-N
Molecular Formula	C7H3ClFN

Diethyl 4-chlorobenzylphosphonate, 98+%

CAS: 39225-17-7 Molecular Formula: C11H16ClO3P Molecular Weight (g/mol): 262.67 MDL Number: MFCD00051568 InChI Key: BVQPVBZRJSFOEZ-UHFFFAOYSA-N Synonym: diethyl 4-chlorobenzylphosphonate,diethyl 4-chlorobenzyl phosphonate,diethyl 4-chlorophenyl methylphosphonate,1-chloro-4-diethoxyphosphorylmethyl benzene,phosphonic acid, 4-chlorophenyl methyl-, diethyl ester,phosphonic acid, p-4-chlorophenyl methyl-, diethyl ester,acmc-1aifv,diethyl 4-chlorobenzylposphonate,diethyl 4-chlorobenzylphosphate PubChem CID: 99240 IUPAC Name: 1-chloro-4-(diethoxyphosphorylmethyl)benzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)Cl)OCC

Pricing and Availability
Specifications

PubChem CID	99240
CAS	39225-17-7
Molecular Weight (g/mol)	262.67
MDL Number	MFCD00051568
SMILES	CCOP(=O)(CC1=CC=C(C=C1)Cl)OCC
Synonym	diethyl 4-chlorobenzylphosphonate,diethyl 4-chlorobenzyl phosphonate,diethyl 4-chlorophenyl methylphosphonate,1-chloro-4-diethoxyphosphorylmethyl benzene,phosphonic acid, 4-chlorophenyl methyl-, diethyl ester,phosphonic acid, p-4-chlorophenyl methyl-, diethyl ester,acmc-1aifv,diethyl 4-chlorobenzylposphonate,diethyl 4-chlorobenzylphosphate
IUPAC Name	1-chloro-4-(diethoxyphosphorylmethyl)benzene
InChI Key	BVQPVBZRJSFOEZ-UHFFFAOYSA-N
Molecular Formula	C11H16ClO3P

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

5-Bromo-2-chlorotoluene, 98%

CAS: 54932-72-8 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00018503 InChI Key: OZFQMHJKAODEON-UHFFFAOYSA-N Synonym: 5-bromo-2-chlorotoluene,benzene, 4-bromo-1-chloro-2-methyl,2-chloro-5-bromotoluene,pubchem3604,5-bromo-2-chlorotoulene,acmc-209lk8,ksc493o2d,ozfqmhjkaodeon-uhfffaoysa,attercop-chm at115283 PubChem CID: 609899 IUPAC Name: 4-bromo-1-chloro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)Cl

Pricing and Availability
Specifications

PubChem CID	609899
CAS	54932-72-8
Molecular Weight (g/mol)	205.479
MDL Number	MFCD00018503
SMILES	CC1=C(C=CC(=C1)Br)Cl
Synonym	5-bromo-2-chlorotoluene,benzene, 4-bromo-1-chloro-2-methyl,2-chloro-5-bromotoluene,pubchem3604,5-bromo-2-chlorotoulene,acmc-209lk8,ksc493o2d,ozfqmhjkaodeon-uhfffaoysa,attercop-chm at115283
IUPAC Name	4-bromo-1-chloro-2-methylbenzene
InChI Key	OZFQMHJKAODEON-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

2-Chloro-6-methylphenyl isocyanate, 97%

CAS: 40398-01-4 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.592 MDL Number: MFCD00037030 InChI Key: FBTQQNYGMICJQZ-UHFFFAOYSA-N Synonym: 2-chloro-6-methylphenyl isocyanate,2-chloro-6-methylphenylisocyanate,benzene, 1-chloro-2-isocyanato-3-methyl,acmc-1ake5,2-chloro-6-methylbenzenisocyanate,2-chloro 6-methyl phenylisocyanate,2-chloro 6-methyl phenyl isocyanate,2-chloro-1-isocyanato-6-methyl benzene,1-chloro-2-isocyanato-3-methyl-benzene,6-chloro-2-methylphenylisocyanate PubChem CID: 268123 IUPAC Name: 1-chloro-2-isocyanato-3-methylbenzene SMILES: CC1=C(C(=CC=C1)Cl)N=C=O

Pricing and Availability
Specifications

PubChem CID	268123
CAS	40398-01-4
Molecular Weight (g/mol)	167.592
MDL Number	MFCD00037030
SMILES	CC1=C(C(=CC=C1)Cl)N=C=O
Synonym	2-chloro-6-methylphenyl isocyanate,2-chloro-6-methylphenylisocyanate,benzene, 1-chloro-2-isocyanato-3-methyl,acmc-1ake5,2-chloro-6-methylbenzenisocyanate,2-chloro 6-methyl phenylisocyanate,2-chloro 6-methyl phenyl isocyanate,2-chloro-1-isocyanato-6-methyl benzene,1-chloro-2-isocyanato-3-methyl-benzene,6-chloro-2-methylphenylisocyanate
IUPAC Name	1-chloro-2-isocyanato-3-methylbenzene
InChI Key	FBTQQNYGMICJQZ-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO

2-Chlorophenyl isothiocyanate, 97%

CAS: 2740-81-0 Molecular Formula: C7H4ClNS Molecular Weight (g/mol): 169.626 MDL Number: MFCD00004801 InChI Key: DASSPOJBUMBXLU-UHFFFAOYSA-N Synonym: 2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate PubChem CID: 123171 IUPAC Name: 1-chloro-2-isothiocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=S)Cl

Pricing and Availability
Specifications

PubChem CID	123171
CAS	2740-81-0
Molecular Weight (g/mol)	169.626
MDL Number	MFCD00004801
SMILES	C1=CC=C(C(=C1)N=C=S)Cl
Synonym	2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate
IUPAC Name	1-chloro-2-isothiocyanatobenzene
InChI Key	DASSPOJBUMBXLU-UHFFFAOYSA-N
Molecular Formula	C7H4ClNS

2-Chlorophenylacetic acid, 98.5+%

CAS: 2444-36-2 Molecular Formula: C₈H₇ClO₂ Molecular Weight (g/mol): 170.6 MDL Number: MFCD00004317 InChI Key: IUJAAIZKRJJZGQ-UHFFFAOYSA-N Synonym: 2-chlorophenylacetic acid,o-chlorophenylacetic acid,2-2-chlorophenyl acetic acid,2-chlorophenyl acetic acid,2-chlorophenylaceticacid,benzeneacetic acid, 2-chloro,o-chlorophenyl acetic acid,acetic acid, o-chlorophenyl,2-chloro-benzeneacetic acid PubChem CID: 17124 IUPAC Name: 2-(2-chlorophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)Cl

Pricing and Availability
Specifications

PubChem CID	17124
CAS	2444-36-2
Molecular Weight (g/mol)	170.6
MDL Number	MFCD00004317
SMILES	C1=CC=C(C(=C1)CC(=O)O)Cl
Synonym	2-chlorophenylacetic acid,o-chlorophenylacetic acid,2-2-chlorophenyl acetic acid,2-chlorophenyl acetic acid,2-chlorophenylaceticacid,benzeneacetic acid, 2-chloro,o-chlorophenyl acetic acid,acetic acid, o-chlorophenyl,2-chloro-benzeneacetic acid
IUPAC Name	2-(2-chlorophenyl)acetic acid
InChI Key	IUJAAIZKRJJZGQ-UHFFFAOYSA-N
Molecular Formula	C₈H₇ClO₂

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

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