Organochlorides

Organic compounds that contain one or more chlorine atoms.

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n-Butyl Chloride (HPLC), Fisher Chemical™

CAS: 109-69-3 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 InChI Key: VFWCMGCRMGJXDK-UHFFFAOYSA-N Synonym: butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane PubChem CID: 8005 IUPAC Name: 1-chlorobutane SMILES: CCCCCl

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PubChem CID	8005
CAS	109-69-3
Molecular Weight (g/mol)	92.57
SMILES	CCCCCl
Synonym	butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane
IUPAC Name	1-chlorobutane
InChI Key	VFWCMGCRMGJXDK-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

Chloroform, ACS Reagent, With Stabilizer (Amylene), ≥99.8%, Honeywell Riedel-de Haën™

CAS: 67-66-3 Molecular Formula: CHCl3 Molecular Weight (g/mol): 119.37 MDL Number: MFCD00000826 InChI Key: HEDRZPFGACZZDS-UHFFFAOYSA-N Synonym: trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio PubChem CID: 6212 ChEBI: CHEBI:35255 SMILES: ClC(Cl)Cl

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PubChem CID	6212
CAS	67-66-3
Molecular Weight (g/mol)	119.37
ChEBI	CHEBI:35255
MDL Number	MFCD00000826
SMILES	ClC(Cl)Cl
Synonym	trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio
InChI Key	HEDRZPFGACZZDS-UHFFFAOYSA-N
Molecular Formula	CHCl3

n-Butyl Chloride, B&J Brand™, for HPLC, GC and spectrophotometry, ≥99.5%, Honeywell Burdick & Jackson

CAS: 109-69-3 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00001009 InChI Key: VFWCMGCRMGJXDK-UHFFFAOYSA-N Synonym: butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane PubChem CID: 8005 IUPAC Name: 1-chlorobutane SMILES: CCCCCl

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Specifications

PubChem CID	8005
CAS	109-69-3
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00001009
SMILES	CCCCCl
Synonym	butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane
IUPAC Name	1-chlorobutane
InChI Key	VFWCMGCRMGJXDK-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

Trichloroethylene, ≥99.5%, ACS Reagent, Honeywell™ Riedel-de Haën™

CAS: 79-01-6 Molecular Formula: C2HCl3 Molecular Weight (g/mol): 131.38 MDL Number: MFCD00000838 InChI Key: XSTXAVWGXDQKEL-UHFFFAOYSA-N Synonym: trichloroethylene,trichloroethene,ethene, trichloro,trilene,trichlorethylene,ethinyl trichloride,ethylene trichloride,acetylene trichloride,chlorilen,narcogen PubChem CID: 6575 ChEBI: CHEBI:16602 IUPAC Name: 1,1,2-trichloroethene SMILES: C(=C(Cl)Cl)Cl

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Specifications

PubChem CID	6575
CAS	79-01-6
Molecular Weight (g/mol)	131.38
ChEBI	CHEBI:16602
MDL Number	MFCD00000838
SMILES	C(=C(Cl)Cl)Cl
Synonym	trichloroethylene,trichloroethene,ethene, trichloro,trilene,trichlorethylene,ethinyl trichloride,ethylene trichloride,acetylene trichloride,chlorilen,narcogen
IUPAC Name	1,1,2-trichloroethene
InChI Key	XSTXAVWGXDQKEL-UHFFFAOYSA-N
Molecular Formula	C2HCl3

1-Chlorobutane CHROMASOLV™, for HPLC, ≥99.8%, Honeywell Riedel-de Haën™

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Specifications

PubChem CID	8005
CAS	109-69-3
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00001009
SMILES	CCCCCl
Synonym	butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane
IUPAC Name	1-chlorobutane
InChI Key	VFWCMGCRMGJXDK-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

Tetrachloroethylene, CHROMASOLV™, for HPLC, ≥99.9%, Honeywell Riedel-de Haen

CAS: 127-18-4 Molecular Formula: C2Cl4 Molecular Weight (g/mol): 165.82 MDL Number: MFCD00000834 InChI Key: CYTYCFOTNPOANT-UHFFFAOYSA-N Synonym: tetrachloroethylene,tetrachloroethene,perchloroethylene,perchlorethylene,perc,ethene, tetrachloro,tetrachlorethylene,ethylene tetrachloride,carbon dichloride,ankilostin PubChem CID: 31373 ChEBI: CHEBI:17300 SMILES: ClC(Cl)=C(Cl)Cl

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PubChem CID	31373
CAS	127-18-4
Molecular Weight (g/mol)	165.82
ChEBI	CHEBI:17300
MDL Number	MFCD00000834
SMILES	ClC(Cl)=C(Cl)Cl
Synonym	tetrachloroethylene,tetrachloroethene,perchloroethylene,perchlorethylene,perc,ethene, tetrachloro,tetrachlorethylene,ethylene tetrachloride,carbon dichloride,ankilostin
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

PubChem CID	31373
CAS	127-18-4
Molecular Weight (g/mol)	165.82
ChEBI	CHEBI:17300
MDL Number	MFCD00000834
SMILES	ClC(Cl)=C(Cl)Cl
Synonym	tetrachloroethylene,tetrachloroethene,perchloroethylene,perchlorethylene,perc,ethene, tetrachloro,tetrachlorethylene,ethylene tetrachloride,carbon dichloride,ankilostin
IUPAC Name	tetrachloroethene
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

Chloroform, ≥99.5%, Honeywell™

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PubChem CID	6212
CAS	67-66-3
Molecular Weight (g/mol)	119.37
ChEBI	CHEBI:35255
MDL Number	MFCD00000826
SMILES	ClC(Cl)Cl
Synonym	trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio
InChI Key	HEDRZPFGACZZDS-UHFFFAOYSA-N
Molecular Formula	CHCl3

Benzotrichloride, 98%

CAS: 98-07-7 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000786 InChI Key: XEMRAKSQROQPBR-UHFFFAOYSA-N Synonym: benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane PubChem CID: 7367 ChEBI: CHEBI:82274 IUPAC Name: trichloromethylbenzene SMILES: ClC(Cl)(Cl)C1=CC=CC=C1

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Specifications

PubChem CID	7367
CAS	98-07-7
Molecular Weight (g/mol)	195.47
ChEBI	CHEBI:82274
MDL Number	MFCD00000786
SMILES	ClC(Cl)(Cl)C1=CC=CC=C1
Synonym	benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane
IUPAC Name	trichloromethylbenzene
InChI Key	XEMRAKSQROQPBR-UHFFFAOYSA-N
Molecular Formula	C7H5Cl3

Benzyl chloroformate, 95%, stab. with ca 0.1% sodium carbonate

CAS: 501-53-1 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00000640 InChI Key: HSDAJNMJOMSNEV-UHFFFAOYSA-N Synonym: benzyl chloroformate,carbobenzoxy chloride,benzyl chlorocarbonate,cbz chloride,benzyloxycarbonyl chloride,carbobenzyloxy chloride,carbonochloridic acid, phenylmethyl ester,benzylcarbonyl chloride,cbz-cl,chloroformic acid, benzyl ester PubChem CID: 10387 IUPAC Name: benzyl carbonochloridate SMILES: C1=CC=C(C=C1)COC(=O)Cl

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Specifications

PubChem CID	10387
CAS	501-53-1
Molecular Weight (g/mol)	170.592
MDL Number	MFCD00000640
SMILES	C1=CC=C(C=C1)COC(=O)Cl
Synonym	benzyl chloroformate,carbobenzoxy chloride,benzyl chlorocarbonate,cbz chloride,benzyloxycarbonyl chloride,carbobenzyloxy chloride,carbonochloridic acid, phenylmethyl ester,benzylcarbonyl chloride,cbz-cl,chloroformic acid, benzyl ester
IUPAC Name	benzyl carbonochloridate
InChI Key	HSDAJNMJOMSNEV-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

1-Chloro-3-methyl-2-butene, 95%, stab. with potassium carbonate

CAS: 503-60-6 Molecular Formula: C5H9Cl Molecular Weight (g/mol): 104.577 MDL Number: MFCD00000982 InChI Key: JKXQKGNGJVZKFA-UHFFFAOYSA-N Synonym: 1-chloro-3-methyl-2-butene,prenyl chloride,2-butene, 1-chloro-3-methyl,3,3-dimethylallyl chloride,3-methyl-2-butenyl chloride,3-methylcrotyl chloride,unii-kmt7v9llbr,gamma,gamma-dimethylallyl chloride,kmt7v9llbr,.gamma.,.gamma.-dimethylallyl chloride PubChem CID: 10429 IUPAC Name: 1-chloro-3-methylbut-2-ene SMILES: CC(=CCCl)C

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Specifications

PubChem CID	10429
CAS	503-60-6
Molecular Weight (g/mol)	104.577
MDL Number	MFCD00000982
SMILES	CC(=CCCl)C
Synonym	1-chloro-3-methyl-2-butene,prenyl chloride,2-butene, 1-chloro-3-methyl,3,3-dimethylallyl chloride,3-methyl-2-butenyl chloride,3-methylcrotyl chloride,unii-kmt7v9llbr,gamma,gamma-dimethylallyl chloride,kmt7v9llbr,.gamma.,.gamma.-dimethylallyl chloride
IUPAC Name	1-chloro-3-methylbut-2-ene
InChI Key	JKXQKGNGJVZKFA-UHFFFAOYSA-N
Molecular Formula	C5H9Cl

Chloromethyl butyrate, 99%

CAS: 33657-49-7 Molecular Formula: C₅H₉ClO₂ Molecular Weight (g/mol): 136.58 MDL Number: MFCD00216961 InChI Key: BDPZFQLKFUONAG-UHFFFAOYSA-N Synonym: chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester PubChem CID: 2725008 IUPAC Name: chloromethyl butanoate SMILES: CCCC(=O)OCCl

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Specifications

PubChem CID	2725008
CAS	33657-49-7
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00216961
SMILES	CCCC(=O)OCCl
Synonym	chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester
IUPAC Name	chloromethyl butanoate
InChI Key	BDPZFQLKFUONAG-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₂

N-Methoxy-N-methylcarbamoyl chloride, 95%, Thermo Scientific Chemicals

CAS: 30289-28-2 Molecular Formula: C3H6ClNO2 Molecular Weight (g/mol): 123.54 MDL Number: MFCD06658962 InChI Key: SHQJHXLWZDMQEJ-UHFFFAOYSA-N Synonym: acmc-209he9,methylmethoxycarbamoyl chloride,methoxy methyl carbamic chloride,n-methoxy-n-methylcarbamic chloride,n-methoxy-n-methylcarbamyl chloride,n-methyl-n-methoxycarbamyl chloride,carbamic chloride,n-methoxy-n-methyl,n-methoxy-n-methylcarbamic acid chloride PubChem CID: 2734926 IUPAC Name: N-methoxy-N-methylcarbamoyl chloride SMILES: CON(C)C(Cl)=O

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Specifications

PubChem CID	2734926
CAS	30289-28-2
Molecular Weight (g/mol)	123.54
MDL Number	MFCD06658962
SMILES	CON(C)C(Cl)=O
Synonym	acmc-209he9,methylmethoxycarbamoyl chloride,methoxy methyl carbamic chloride,n-methoxy-n-methylcarbamic chloride,n-methoxy-n-methylcarbamyl chloride,n-methyl-n-methoxycarbamyl chloride,carbamic chloride,n-methoxy-n-methyl,n-methoxy-n-methylcarbamic acid chloride
IUPAC Name	N-methoxy-N-methylcarbamoyl chloride
InChI Key	SHQJHXLWZDMQEJ-UHFFFAOYSA-N
Molecular Formula	C3H6ClNO2

1-Chlorohexane, 95%

CAS: 544-10-5 Molecular Formula: C₆H₁₃Cl Molecular Weight (g/mol): 120.62 MDL Number: MFCD00001018 InChI Key: MLRVZFYXUZQSRU-UHFFFAOYSA-N Synonym: chlorohexane,hexyl chloride,hexane, 1-chloro,n-hexyl chloride,1-chloro-hexane,hexane, chloro,unii-r5l7i6o9nw,r5l7i6o9nw,triisobutenyl chloride,hexylchloride PubChem CID: 10992 IUPAC Name: 1-chlorohexane SMILES: CCCCCCCl

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Specifications

PubChem CID	10992
CAS	544-10-5
Molecular Weight (g/mol)	120.62
MDL Number	MFCD00001018
SMILES	CCCCCCCl
Synonym	chlorohexane,hexyl chloride,hexane, 1-chloro,n-hexyl chloride,1-chloro-hexane,hexane, chloro,unii-r5l7i6o9nw,r5l7i6o9nw,triisobutenyl chloride,hexylchloride
IUPAC Name	1-chlorohexane
InChI Key	MLRVZFYXUZQSRU-UHFFFAOYSA-N
Molecular Formula	C₆H₁₃Cl

1-chlorobutane, Sequenation Grade

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Specifications

PubChem CID	8005
CAS	109-69-3
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00001009
SMILES	CCCCCl
Synonym	butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane
IUPAC Name	1-chlorobutane
InChI Key	VFWCMGCRMGJXDK-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

Organochlorides

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