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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2,4,6-Trichloroaniline, 98+%

CAS: 634-93-5 Molecular Formula: C6H4Cl3N Molecular Weight (g/mol): 196.455 MDL Number: MFCD00007663 InChI Key: NATVSFWWYVJTAZ-UHFFFAOYSA-N Synonym: s-trichloroaniline,benzenamine, 2,4,6-trichloro,aniline, 2,4,6-trichloro,sym-trichloroaniline,2,4,6-trichlorobenzenamine,2,4,6-trichlorophenylamine,1-amino-2,4,6-trichlorobenzene,unii-j7ic72n9b0,ccris 601,pubchem9974 PubChem CID: 12471 IUPAC Name: 2,4,6-trichloroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Cl)Cl

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Specifications

PubChem CID	12471
CAS	634-93-5
Molecular Weight (g/mol)	196.455
MDL Number	MFCD00007663
SMILES	C1=C(C=C(C(=C1Cl)N)Cl)Cl
Synonym	s-trichloroaniline,benzenamine, 2,4,6-trichloro,aniline, 2,4,6-trichloro,sym-trichloroaniline,2,4,6-trichlorobenzenamine,2,4,6-trichlorophenylamine,1-amino-2,4,6-trichlorobenzene,unii-j7ic72n9b0,ccris 601,pubchem9974
IUPAC Name	2,4,6-trichloroaniline
InChI Key	NATVSFWWYVJTAZ-UHFFFAOYSA-N
Molecular Formula	C6H4Cl3N

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3-chlorobenzonitrile, 99%

CAS: 766-84-7 Molecular Formula: C7H4ClN Molecular Weight (g/mol): 137.57 MDL Number: MFCD00001798 InChI Key: WBUOVKBZJOIOAE-UHFFFAOYSA-N Synonym: m-chlorobenzonitrile,benzonitrile, 3-chloro,m-chloro benzonitrile,m-cyanochlorobenzene,benzonitrile, m-chloro,3-chlorobenzenecarbonitrile,5-chlorobenzonitrile,3-chloro benzonitrile,3-chloro-benzonitrile,pubchem3624 PubChem CID: 13015 IUPAC Name: 3-chlorobenzonitrile SMILES: ClC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	13015
CAS	766-84-7
Molecular Weight (g/mol)	137.57
MDL Number	MFCD00001798
SMILES	ClC1=CC=CC(=C1)C#N
Synonym	m-chlorobenzonitrile,benzonitrile, 3-chloro,m-chloro benzonitrile,m-cyanochlorobenzene,benzonitrile, m-chloro,3-chlorobenzenecarbonitrile,5-chlorobenzonitrile,3-chloro benzonitrile,3-chloro-benzonitrile,pubchem3624
IUPAC Name	3-chlorobenzonitrile
InChI Key	WBUOVKBZJOIOAE-UHFFFAOYSA-N
Molecular Formula	C7H4ClN

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PubChem CID	13015
CAS	766-84-7
Molecular Weight (g/mol)	137.57
MDL Number	MFCD00001798
SMILES	ClC1=CC=CC(=C1)C#N
Synonym	m-chlorobenzonitrile,benzonitrile, 3-chloro,m-chloro benzonitrile,m-cyanochlorobenzene,benzonitrile, m-chloro,3-chlorobenzenecarbonitrile,5-chlorobenzonitrile,3-chloro benzonitrile,3-chloro-benzonitrile,pubchem3624
IUPAC Name	3-chlorobenzonitrile
InChI Key	WBUOVKBZJOIOAE-UHFFFAOYSA-N
Molecular Formula	C7H4ClN

4-Bromochlorobenzene, 99%

CAS: 106-39-8 Molecular Formula: C6H4BrCl Molecular Weight (g/mol): 191.45 MDL Number: MFCD00000600 InChI Key: NHDODQWIKUYWMW-UHFFFAOYSA-N Synonym: 4-bromochlorobenzene,p-bromochlorobenzene,4-chlorobromobenzene,p-chlorobromobenzene,p-chlorophenyl bromide,benzene, 1-bromo-4-chloro,4-chlorophenyl bromide,1-chloro-4-bromobenzene,4-chloro-1-bromobenzene,p-bromoclorobenzene PubChem CID: 7806 IUPAC Name: 1-bromo-4-chlorobenzene SMILES: ClC1=CC=C(Br)C=C1

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Specifications

PubChem CID	7806
CAS	106-39-8
Molecular Weight (g/mol)	191.45
MDL Number	MFCD00000600
SMILES	ClC1=CC=C(Br)C=C1
Synonym	4-bromochlorobenzene,p-bromochlorobenzene,4-chlorobromobenzene,p-chlorobromobenzene,p-chlorophenyl bromide,benzene, 1-bromo-4-chloro,4-chlorophenyl bromide,1-chloro-4-bromobenzene,4-chloro-1-bromobenzene,p-bromoclorobenzene
IUPAC Name	1-bromo-4-chlorobenzene
InChI Key	NHDODQWIKUYWMW-UHFFFAOYSA-N
Molecular Formula	C6H4BrCl

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(S)-1-(2-Chlorophenyl)ethanol, 98%

CAS: 131864-71-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD06659506 InChI Key: DDUBOVLGCYUYFX-LURJTMIESA-N Synonym: s-1-2-chlorophenyl ethanol,1s-1-2-chlorophenyl ethan-1-ol,1s-1-2-chlorophenyl ethanol,s-1-2-chlorophenyl ethan-1-ol,pubchem5670,s-1-2-chloro-phenyl-ethanol,5-1-2-chloro-phenyl-ethanol,s-2-chloro-alpha-methylbenzyl alcohol,benzenemethanol,2-chloro-a-methyl-, as PubChem CID: 6999091 IUPAC Name: (1S)-1-(2-chlorophenyl)ethanol SMILES: CC(C1=CC=CC=C1Cl)O

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Specifications

PubChem CID	6999091
CAS	131864-71-6
Molecular Weight (g/mol)	156.609
MDL Number	MFCD06659506
SMILES	CC(C1=CC=CC=C1Cl)O
Synonym	s-1-2-chlorophenyl ethanol,1s-1-2-chlorophenyl ethan-1-ol,1s-1-2-chlorophenyl ethanol,s-1-2-chlorophenyl ethan-1-ol,pubchem5670,s-1-2-chloro-phenyl-ethanol,5-1-2-chloro-phenyl-ethanol,s-2-chloro-alpha-methylbenzyl alcohol,benzenemethanol,2-chloro-a-methyl-, as
IUPAC Name	(1S)-1-(2-chlorophenyl)ethanol
InChI Key	DDUBOVLGCYUYFX-LURJTMIESA-N
Molecular Formula	C8H9ClO

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3-Chlorobenzamide, 98+%, Thermo Scientific Chemicals

CAS: 618-48-4 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD00014799 InChI Key: MJTGQALMWUUPQM-UHFFFAOYSA-N Synonym: m-chlorobenzamide,benzamide, 3-chloro,3-chloro-benzamide,benzamide, m-chloro-8ci,benzamide, m-chloro,5-chlorobenzamide,pubchem3618,acmc-1b3cu,wce PubChem CID: 69254 ChEBI: CHEBI:10587 IUPAC Name: 3-chlorobenzamide SMILES: NC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	69254
CAS	618-48-4
Molecular Weight (g/mol)	155.58
ChEBI	CHEBI:10587
MDL Number	MFCD00014799
SMILES	NC(=O)C1=CC=CC(Cl)=C1
Synonym	m-chlorobenzamide,benzamide, 3-chloro,3-chloro-benzamide,benzamide, m-chloro-8ci,benzamide, m-chloro,5-chlorobenzamide,pubchem3618,acmc-1b3cu,wce
IUPAC Name	3-chlorobenzamide
InChI Key	MJTGQALMWUUPQM-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO

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4-Chloro-3-methylbenzeneboronic acid, 98%

CAS: 161950-10-3 Molecular Formula: C7H8BClO2 Molecular Weight (g/mol): 170.40 MDL Number: MFCD02683104 InChI Key: UZDPQDBLCJDUAX-UHFFFAOYSA-N Synonym: 4-chloro-3-methylbenzeneboronic acid,4-chloro-3-methylphenyl boronic acid,4-chloro-m-tolueneboronic acid,4-chloro-m-tolylboronic acid,4-chloro-3-methyl-phenyl boronic acid,boronic acid, 4-chloro-3-methylphenyl,boronic acid, b-4-chloro-3-methylphenyl,acmc-209xzw,4-chloro-3-methylphenylboronicacid,3-methyl-4-chlorophenylboronic acid PubChem CID: 3786632 IUPAC Name: (4-chloro-3-methylphenyl)boronic acid SMILES: CC1=C(Cl)C=CC(=C1)B(O)O

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Specifications

PubChem CID	3786632
CAS	161950-10-3
Molecular Weight (g/mol)	170.40
MDL Number	MFCD02683104
SMILES	CC1=C(Cl)C=CC(=C1)B(O)O
Synonym	4-chloro-3-methylbenzeneboronic acid,4-chloro-3-methylphenyl boronic acid,4-chloro-m-tolueneboronic acid,4-chloro-m-tolylboronic acid,4-chloro-3-methyl-phenyl boronic acid,boronic acid, 4-chloro-3-methylphenyl,boronic acid, b-4-chloro-3-methylphenyl,acmc-209xzw,4-chloro-3-methylphenylboronicacid,3-methyl-4-chlorophenylboronic acid
IUPAC Name	(4-chloro-3-methylphenyl)boronic acid
InChI Key	UZDPQDBLCJDUAX-UHFFFAOYSA-N
Molecular Formula	C7H8BClO2

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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-Chlorophenethyl bromide, 95%

CAS: 16793-91-2 Molecular Formula: C₈H₈BrCl Molecular Weight (g/mol): 219.51 InChI Key: AECBVDLERUETKG-UHFFFAOYSA-N PubChem CID: 2756963 IUPAC Name: 1-(2-bromoethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CCBr)Cl

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Specifications

PubChem CID	2756963
CAS	16793-91-2
Molecular Weight (g/mol)	219.51
SMILES	C1=CC=C(C(=C1)CCBr)Cl
IUPAC Name	1-(2-bromoethyl)-2-chlorobenzene
InChI Key	AECBVDLERUETKG-UHFFFAOYSA-N
Molecular Formula	C₈H₈BrCl

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2-Chlorophenyl isothiocyanate, 99%

CAS: 2740-81-0 Molecular Formula: C₇H₄ClNS Molecular Weight (g/mol): 169.63 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

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Specifications

PubChem CID	123171
CAS	2740-81-0
Molecular Weight (g/mol)	169.63
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

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Methyl 4-chlorophenylacetate, 99%

CAS: 52449-43-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00032743 InChI Key: WWIYGBWRUXQDND-UHFFFAOYSA-N Synonym: methyl 4-chlorophenylacetate,methyl 2-4-chlorophenyl acetate,methyl 4-chlorophenyl acetate,4-chloro-phenyl-acetic acid methyl ester,benzeneacetic acid, 4-chloro-, methyl ester,4-chlorophenylacetic acid methyl ester,methyl4-chlorophenylacetate,zlchem 382 PubChem CID: 104196 IUPAC Name: methyl 2-(4-chlorophenyl)acetate SMILES: COC(=O)CC1=CC=C(Cl)C=C1

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Specifications

PubChem CID	104196
CAS	52449-43-1
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00032743
SMILES	COC(=O)CC1=CC=C(Cl)C=C1
Synonym	methyl 4-chlorophenylacetate,methyl 2-4-chlorophenyl acetate,methyl 4-chlorophenyl acetate,4-chloro-phenyl-acetic acid methyl ester,benzeneacetic acid, 4-chloro-, methyl ester,4-chlorophenylacetic acid methyl ester,methyl4-chlorophenylacetate,zlchem 382
IUPAC Name	methyl 2-(4-chlorophenyl)acetate
InChI Key	WWIYGBWRUXQDND-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

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3-chloro-4-methylphenylboronic acid, 97%, Thermo Scientific Chemicals

CAS: 175883-63-3 Molecular Formula: C7H8BClO2 Molecular Weight (g/mol): 170.40 MDL Number: MFCD04039010 InChI Key: YTJUYWRCAZWVSX-UHFFFAOYSA-N Synonym: 3-chloro-4-methylphenyl boronic acid,3-chloro-4-methylbenzeneboronic acid,3-chloro-4-methylphenylboronicacid,3-chloro-p-tolylboronic acid,boronic acid, 3-chloro-4-methylphenyl,pubchem5132,3-chloro-4-methyl-phenyl boronic acid,acmc-209eaq,ksc489k9f,3-chloro-4-methylphenyl-boronic acid PubChem CID: 3854610 IUPAC Name: (3-chloro-4-methylphenyl)boronic acid SMILES: CC1=CC=C(C=C1Cl)B(O)O

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Specifications

PubChem CID	3854610
CAS	175883-63-3
Molecular Weight (g/mol)	170.40
MDL Number	MFCD04039010
SMILES	CC1=CC=C(C=C1Cl)B(O)O
Synonym	3-chloro-4-methylphenyl boronic acid,3-chloro-4-methylbenzeneboronic acid,3-chloro-4-methylphenylboronicacid,3-chloro-p-tolylboronic acid,boronic acid, 3-chloro-4-methylphenyl,pubchem5132,3-chloro-4-methyl-phenyl boronic acid,acmc-209eaq,ksc489k9f,3-chloro-4-methylphenyl-boronic acid
IUPAC Name	(3-chloro-4-methylphenyl)boronic acid
InChI Key	YTJUYWRCAZWVSX-UHFFFAOYSA-N
Molecular Formula	C7H8BClO2

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3-chlorophenylacetylene, 97%

CAS: 766-83-6 Molecular Formula: C₈H₅Cl Molecular Weight (g/mol): 136.58 MDL Number: MFCD03839984 InChI Key: GRBJPHPMYOUMJV-UHFFFAOYSA-N Synonym: 3-chlorophenylacetylene,3-chlorophenyl acetylene,3'-chlorophenyl acetylene,3-chloro-1-ethynylbenzene,benzene, 1-chloro-3-ethynyl,m-chlorophenylacetylene,1-chloro-3-ethynyl-benzene,3'-chlorophenylacetylene,3-chloro phenyl acetylene PubChem CID: 123086 IUPAC Name: 1-chloro-3-ethynylbenzene SMILES: C#CC1=CC(=CC=C1)Cl

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Specifications

PubChem CID	123086
CAS	766-83-6
Molecular Weight (g/mol)	136.58
MDL Number	MFCD03839984
SMILES	C#CC1=CC(=CC=C1)Cl
Synonym	3-chlorophenylacetylene,3-chlorophenyl acetylene,3'-chlorophenyl acetylene,3-chloro-1-ethynylbenzene,benzene, 1-chloro-3-ethynyl,m-chlorophenylacetylene,1-chloro-3-ethynyl-benzene,3'-chlorophenylacetylene,3-chloro phenyl acetylene
IUPAC Name	1-chloro-3-ethynylbenzene
InChI Key	GRBJPHPMYOUMJV-UHFFFAOYSA-N
Molecular Formula	C₈H₅Cl

Chlorobenzene

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