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

1,4-Dichlorobutane, 97%

CAS: 110-56-5 Molecular Formula: C4H8Cl2 Molecular Weight (g/mol): 127.01 MDL Number: MFCD00001011 InChI Key: KJDRSWPQXHESDQ-UHFFFAOYSA-N Synonym: butane, 1,4-dichloro,unii-8326ynm2b3,tetramethylene chloride,1,4-dichlorobutane,butane,4-dichloro,tetramethylene dichloride,1,4-bis chloranyl butane,ksc491k8b,1,4-dichlorobutane, puriss gc PubChem CID: 8059 IUPAC Name: 1,4-dichlorobutane SMILES: ClCCCCCl

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PubChem CID	8059
CAS	110-56-5
Molecular Weight (g/mol)	127.01
MDL Number	MFCD00001011
SMILES	ClCCCCCl
Synonym	butane, 1,4-dichloro,unii-8326ynm2b3,tetramethylene chloride,1,4-dichlorobutane,butane,4-dichloro,tetramethylene dichloride,1,4-bis chloranyl butane,ksc491k8b,1,4-dichlorobutane, puriss gc
IUPAC Name	1,4-dichlorobutane
InChI Key	KJDRSWPQXHESDQ-UHFFFAOYSA-N
Molecular Formula	C4H8Cl2

3-chloro-2-chloromethyl-1-propene, 96%

CAS: 1871-57-4 Molecular Formula: C4H6Cl2 Molecular Weight (g/mol): 124.99 MDL Number: MFCD00000952 InChI Key: XJFZOSUFGSANIF-UHFFFAOYSA-N Synonym: 3-chloro-2-chloromethyl prop-1-ene,3-chloro-2-chloromethyl-1-propene,1,1-bis chloromethyl ethylene,methallyl dichloride,1-propene, 3-chloro-2-chloromethyl,2-chloromethyl-3-chloropropene,1,3-dichloro-2-methylenepropane,3-chloro-2-chloromethyl propene,2-methylene-1,3-dichloropropane,2-methylenepropane-1,3-dichloride PubChem CID: 15859 IUPAC Name: 3-chloro-2-(chloromethyl)prop-1-ene SMILES: ClCC(=C)CCl

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PubChem CID	15859
CAS	1871-57-4
Molecular Weight (g/mol)	124.99
MDL Number	MFCD00000952
SMILES	ClCC(=C)CCl
Synonym	3-chloro-2-chloromethyl prop-1-ene,3-chloro-2-chloromethyl-1-propene,1,1-bis chloromethyl ethylene,methallyl dichloride,1-propene, 3-chloro-2-chloromethyl,2-chloromethyl-3-chloropropene,1,3-dichloro-2-methylenepropane,3-chloro-2-chloromethyl propene,2-methylene-1,3-dichloropropane,2-methylenepropane-1,3-dichloride
IUPAC Name	3-chloro-2-(chloromethyl)prop-1-ene
InChI Key	XJFZOSUFGSANIF-UHFFFAOYSA-N
Molecular Formula	C4H6Cl2

1-Chlorobutane, MilliporeSigma™

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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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

Chloroform, ≥99.5%, Honeywell™

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

5-(Chloromethyl)-2-phenylpyrimidine, 97%, Thermo Scientific™

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Chlorocarbonylsulfenyl chloride, 95%

CAS: 2757-23-5 Molecular Formula: CCl2OS Molecular Weight (g/mol): 130.97 MDL Number: MFCD00000703 InChI Key: MNOALXGAYUJNKX-UHFFFAOYSA-N Synonym: chlorocarbonylsulfenyl chloride,chlorothio formyl chloride,chloroformylsulfenyl chloride,chloro chlorosulfanyl methanone,chlorothioformyl chloride,chlorocarbonylsulphenyl chloride,chlorocarbonyl sulfenyl chloride,chlorocarbonyl sulphenyl chloride,carbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid,methane, chloro chlorothio oxo PubChem CID: 75990 SMILES: ClSC(Cl)=O

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PubChem CID	75990
CAS	2757-23-5
Molecular Weight (g/mol)	130.97
MDL Number	MFCD00000703
SMILES	ClSC(Cl)=O
Synonym	chlorocarbonylsulfenyl chloride,chlorothio formyl chloride,chloroformylsulfenyl chloride,chloro chlorosulfanyl methanone,chlorothioformyl chloride,chlorocarbonylsulphenyl chloride,chlorocarbonyl sulfenyl chloride,chlorocarbonyl sulphenyl chloride,carbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid,methane, chloro chlorothio oxo
InChI Key	MNOALXGAYUJNKX-UHFFFAOYSA-N
Molecular Formula	CCl2OS

Chlorocyclopentane, 99%

CAS: 930-28-9 Molecular Formula: C5H9Cl Molecular Weight (g/mol): 104.577 MDL Number: MFCD00001360 InChI Key: NDTCXABJQNJPCF-UHFFFAOYSA-N Synonym: cyclopentane, chloro,cyclopentyl chloride,chloroclopentane,cyclopentylchloride,unii-to3f41cl9a,1-chlorocyclopentane,to3f41cl9a,cyclopentylchlorid,chloro-cyclopentan,chlorocyclopenetane PubChem CID: 70252 IUPAC Name: chlorocyclopentane SMILES: C1CCC(C1)Cl

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PubChem CID	70252
CAS	930-28-9
Molecular Weight (g/mol)	104.577
MDL Number	MFCD00001360
SMILES	C1CCC(C1)Cl
Synonym	cyclopentane, chloro,cyclopentyl chloride,chloroclopentane,cyclopentylchloride,unii-to3f41cl9a,1-chlorocyclopentane,to3f41cl9a,cyclopentylchlorid,chloro-cyclopentan,chlorocyclopenetane
IUPAC Name	chlorocyclopentane
InChI Key	NDTCXABJQNJPCF-UHFFFAOYSA-N
Molecular Formula	C5H9Cl

alpha,alpha,alpha-Trichlorotoluene, 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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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

Ethyl chloroformate, 97%

CAS: 541-41-3 InChI Key: RIFGWPKJUGCATF-UHFFFAOYSA-N Synonym: ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato PubChem CID: 10928 IUPAC Name: ethyl carbonochloridate SMILES: CCOC(=O)Cl

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PubChem CID	10928
CAS	541-41-3
SMILES	CCOC(=O)Cl
Synonym	ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato
IUPAC Name	ethyl carbonochloridate
InChI Key	RIFGWPKJUGCATF-UHFFFAOYSA-N

Benzyl 2,2,2-trichloroacetimidate, 98%

CAS: 81927-55-1 Molecular Formula: C9H8Cl3NO Molecular Weight (g/mol): 252.52 MDL Number: MFCD00000805 InChI Key: HUZCTWYDQIQZPM-UHFFFAOYSA-N Synonym: benzyl 2,2,2-trichloroacetimidate,benzyl trichloroacetimidate,benzyltrichloroacetimidate,trichloroacetimidic acid benzyl ester,2,2,2-trichloro-1-phenylmethoxy ethanimine,ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester,benzyl 2,2,2-trichloroethanecarboximidate,benzyl2,2,2-trichloroacetimidate,acmc-209pmn,benzyl trichloracetimidate PubChem CID: 144968 IUPAC Name: benzyl 2,2,2-trichloroethanimidate SMILES: ClC(Cl)(Cl)C(=N)OCC1=CC=CC=C1

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PubChem CID	144968
CAS	81927-55-1
Molecular Weight (g/mol)	252.52
MDL Number	MFCD00000805
SMILES	ClC(Cl)(Cl)C(=N)OCC1=CC=CC=C1
Synonym	benzyl 2,2,2-trichloroacetimidate,benzyl trichloroacetimidate,benzyltrichloroacetimidate,trichloroacetimidic acid benzyl ester,2,2,2-trichloro-1-phenylmethoxy ethanimine,ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester,benzyl 2,2,2-trichloroethanecarboximidate,benzyl2,2,2-trichloroacetimidate,acmc-209pmn,benzyl trichloracetimidate
IUPAC Name	benzyl 2,2,2-trichloroethanimidate
InChI Key	HUZCTWYDQIQZPM-UHFFFAOYSA-N
Molecular Formula	C9H8Cl3NO

2-Chloroacrylonitrile, 99%, stabilized

CAS: 920-37-6 Molecular Formula: C3H2ClN Molecular Weight (g/mol): 87.51 MDL Number: MFCD00001858 InChI Key: OYUNTGBISCIYPW-UHFFFAOYSA-N Synonym: 2-chloroacrylonitrile,2-propenenitrile, 2-chloro,chloroacrylonitrile,acrylonitrile, 2-chloro,2-chloro-2-propenenitrile,unii-ffj1qhd154,ccris 6869,alpha-chloroacrylonitrile,.alpha.-chloroacrylonitrile,ffj1qhd154 PubChem CID: 70198 IUPAC Name: 2-chloroprop-2-enenitrile SMILES: ClC(=C)C#N

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PubChem CID	70198
CAS	920-37-6
Molecular Weight (g/mol)	87.51
MDL Number	MFCD00001858
SMILES	ClC(=C)C#N
Synonym	2-chloroacrylonitrile,2-propenenitrile, 2-chloro,chloroacrylonitrile,acrylonitrile, 2-chloro,2-chloro-2-propenenitrile,unii-ffj1qhd154,ccris 6869,alpha-chloroacrylonitrile,.alpha.-chloroacrylonitrile,ffj1qhd154
IUPAC Name	2-chloroprop-2-enenitrile
InChI Key	OYUNTGBISCIYPW-UHFFFAOYSA-N
Molecular Formula	C3H2ClN

1-Chloroadamantane, 98%

CAS: 935-56-8 Molecular Formula: C10H15Cl Molecular Weight (g/mol): 170.68 MDL Number: MFCD00075627 InChI Key: OZNXTQSXSHODFR-UHFFFAOYSA-N Synonym: 1-adamantyl chloride,adamantyl chloride,3-chloroadamantane,adamantane, 1-chloro,tricyclo 3.3.1.13,7 decane, 1-chloro,1-chlorotricyclo 3.3.1.13,7 decane,3r,5s,7s-1-chloroadamantane,1-chlorotricyclo 3.3.1.1∼3,7∼ decane PubChem CID: 64154 IUPAC Name: 1-chloroadamantane SMILES: ClC12CC3CC(CC(C3)C1)C2

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PubChem CID	64154
CAS	935-56-8
Molecular Weight (g/mol)	170.68
MDL Number	MFCD00075627
SMILES	ClC12CC3CC(CC(C3)C1)C2
Synonym	1-adamantyl chloride,adamantyl chloride,3-chloroadamantane,adamantane, 1-chloro,tricyclo 3.3.1.13,7 decane, 1-chloro,1-chlorotricyclo 3.3.1.13,7 decane,3r,5s,7s-1-chloroadamantane,1-chlorotricyclo 3.3.1.1∼3,7∼ decane
IUPAC Name	1-chloroadamantane
InChI Key	OZNXTQSXSHODFR-UHFFFAOYSA-N
Molecular Formula	C10H15Cl

Hexyl chloroformate, 98%

CAS: 6092-54-2 Molecular Formula: C7H13ClO2 Molecular Weight (g/mol): 164.63 MDL Number: MFCD00000651 InChI Key: KIWBRXCOTCXSSZ-UHFFFAOYSA-N Synonym: hexyl chloroformate,carbonochloridic acid, hexyl ester,n-hexyl chloroformate,chloroformic acid n-hexyl ester,hexyl chlorocarbonate,unii-mu6004c2z3,chloro hexyloxy methanone,chloroformic acid hexyl ester,hexylchloroformate,hexyl=chloroformate PubChem CID: 22466 IUPAC Name: hexyl carbonochloridate SMILES: CCCCCCOC(Cl)=O

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PubChem CID	22466
CAS	6092-54-2
Molecular Weight (g/mol)	164.63
MDL Number	MFCD00000651
SMILES	CCCCCCOC(Cl)=O
Synonym	hexyl chloroformate,carbonochloridic acid, hexyl ester,n-hexyl chloroformate,chloroformic acid n-hexyl ester,hexyl chlorocarbonate,unii-mu6004c2z3,chloro hexyloxy methanone,chloroformic acid hexyl ester,hexylchloroformate,hexyl=chloroformate
IUPAC Name	hexyl carbonochloridate
InChI Key	KIWBRXCOTCXSSZ-UHFFFAOYSA-N
Molecular Formula	C7H13ClO2

Thermo Scientific Chemicals Perchloromethyl mercaptan, 97%

CAS: 594-42-3 Molecular Formula: CCl4S Molecular Weight (g/mol): 185.87 MDL Number: MFCD00037054 InChI Key: RYFZYYUIAZYQLC-UHFFFAOYSA-N Synonym: perchloromethyl mercaptan,perchloromethylmercaptan,clairsit,trichloromethanesulfenyl chloride,methanesulfenyl chloride, trichloro,perchloromethanethiol,perchlormethylmerkaptan,trichloromethane sulfenyl chloride,trichloromethylsulfenyl chloride,trichloromethanesulphenyl chloride PubChem CID: 11666 IUPAC Name: trichloromethyl thiohypochlorite SMILES: ClSC(Cl)(Cl)Cl

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PubChem CID	11666
CAS	594-42-3
Molecular Weight (g/mol)	185.87
MDL Number	MFCD00037054
SMILES	ClSC(Cl)(Cl)Cl
Synonym	perchloromethyl mercaptan,perchloromethylmercaptan,clairsit,trichloromethanesulfenyl chloride,methanesulfenyl chloride, trichloro,perchloromethanethiol,perchlormethylmerkaptan,trichloromethane sulfenyl chloride,trichloromethylsulfenyl chloride,trichloromethanesulphenyl chloride
IUPAC Name	trichloromethyl thiohypochlorite
InChI Key	RYFZYYUIAZYQLC-UHFFFAOYSA-N
Molecular Formula	CCl4S

Organochlorides

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