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

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

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

3-(Chloromethyl)-1-methyl-5-phenyl-1H-pyrazole, ≥97%, Thermo Scientific™

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5-Chloro-2-pentanone, 94%

CAS: 5891-21-4 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.576 MDL Number: MFCD00001008 InChI Key: XVRIEWDDMODMGA-UHFFFAOYSA-N Synonym: 5-chloro-2-pentanone,2-pentanone, 5-chloro,1-chloro-4-pentanone,3-chloropropyl methyl ketone,2-pentanone 5-chloro,1-chloro-4-oxopentane,pubchem17207,3-acetylpropyl chloride,5-chloro-pentan-2-one,5-chloranylpentan-2-one PubChem CID: 79993 IUPAC Name: 5-chloropentan-2-one SMILES: CC(=O)CCCCl

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PubChem CID	79993
CAS	5891-21-4
Molecular Weight (g/mol)	120.576
MDL Number	MFCD00001008
SMILES	CC(=O)CCCCl
Synonym	5-chloro-2-pentanone,2-pentanone, 5-chloro,1-chloro-4-pentanone,3-chloropropyl methyl ketone,2-pentanone 5-chloro,1-chloro-4-oxopentane,pubchem17207,3-acetylpropyl chloride,5-chloro-pentan-2-one,5-chloranylpentan-2-one
IUPAC Name	5-chloropentan-2-one
InChI Key	XVRIEWDDMODMGA-UHFFFAOYSA-N
Molecular Formula	C5H9ClO

4-Chlorobutyronitrile, 97%

CAS: 628-20-6 Molecular Formula: C4H6ClN Molecular Weight (g/mol): 103.55 MDL Number: MFCD00001972 InChI Key: ZFCFBWSVQWGOJJ-UHFFFAOYSA-N Synonym: 4-chlorobutyronitrile,butanenitrile, 4-chloro,butyronitrile, 4-chloro,gamma-chlorobutyronitrile,1-chloro-3-cyanopropane,4-chloro-butyronitrile,.gamma.-chlorobutyronitrile,4chlorobutyronitrile,4-chlorobutyroonitrile,4-chloro-butanenitrile PubChem CID: 12336 IUPAC Name: 4-chlorobutanenitrile SMILES: ClCCCC#N

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PubChem CID	12336
CAS	628-20-6
Molecular Weight (g/mol)	103.55
MDL Number	MFCD00001972
SMILES	ClCCCC#N
Synonym	4-chlorobutyronitrile,butanenitrile, 4-chloro,butyronitrile, 4-chloro,gamma-chlorobutyronitrile,1-chloro-3-cyanopropane,4-chloro-butyronitrile,.gamma.-chlorobutyronitrile,4chlorobutyronitrile,4-chlorobutyroonitrile,4-chloro-butanenitrile
IUPAC Name	4-chlorobutanenitrile
InChI Key	ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
Molecular Formula	C4H6ClN

4-Chloro-1-methylpiperidine hydrochloride, 97%

CAS: 5382-23-0 Molecular Formula: C6H13Cl2N Molecular Weight (g/mol): 170.077 MDL Number: MFCD00012834 InChI Key: QDOJNWFOCOWAPO-UHFFFAOYSA-N Synonym: 4-chloro-1-methylpiperidine hydrochloride,1-methyl-4-chloropiperidine hydrochloride,4-chloro-n-methylpiperidine hydrochloride,4-chloro-1-methylpiperidinium chloride,piperidine, 4-chloro-1-methyl-, hydrochloride,n-methyl-4-chloropiperidine hydrochloride,1-methyl-4-chloro piperidine,pubchem2461,acmc-1apdo,ksc495i8n PubChem CID: 3034158 IUPAC Name: 4-chloro-1-methylpiperidine;hydrochloride SMILES: CN1CCC(CC1)Cl.Cl

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PubChem CID	3034158
CAS	5382-23-0
Molecular Weight (g/mol)	170.077
MDL Number	MFCD00012834
SMILES	CN1CCC(CC1)Cl.Cl
Synonym	4-chloro-1-methylpiperidine hydrochloride,1-methyl-4-chloropiperidine hydrochloride,4-chloro-n-methylpiperidine hydrochloride,4-chloro-1-methylpiperidinium chloride,piperidine, 4-chloro-1-methyl-, hydrochloride,n-methyl-4-chloropiperidine hydrochloride,1-methyl-4-chloro piperidine,pubchem2461,acmc-1apdo,ksc495i8n
IUPAC Name	4-chloro-1-methylpiperidine;hydrochloride
InChI Key	QDOJNWFOCOWAPO-UHFFFAOYSA-N
Molecular Formula	C6H13Cl2N

1-Bromo-6-chlorohexane, 97%

CAS: 6294-17-3 Molecular Formula: C6H12BrCl Molecular Weight (g/mol): 199.52 MDL Number: MFCD00001019 InChI Key: JTYUIAOHIYZBPB-UHFFFAOYSA-N Synonym: 6-chlorohexyl bromide,hexane, 1-bromo-6-chloro,1-chloro-6-bromohexane,hexyl bromide, 6-chloro,6-bromohexyl chloride,1-bromo-6-chloro hexane,1-bromo-6-chloro-hexane,acmc-1b9m0,1-bromo-6-chlorohexane,jtyuiaohiyzbpb-uhfffaoysa PubChem CID: 80516 IUPAC Name: 1-bromo-6-chlorohexane SMILES: ClCCCCCCBr

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PubChem CID	80516
CAS	6294-17-3
Molecular Weight (g/mol)	199.52
MDL Number	MFCD00001019
SMILES	ClCCCCCCBr
Synonym	6-chlorohexyl bromide,hexane, 1-bromo-6-chloro,1-chloro-6-bromohexane,hexyl bromide, 6-chloro,6-bromohexyl chloride,1-bromo-6-chloro hexane,1-bromo-6-chloro-hexane,acmc-1b9m0,1-bromo-6-chlorohexane,jtyuiaohiyzbpb-uhfffaoysa
IUPAC Name	1-bromo-6-chlorohexane
InChI Key	JTYUIAOHIYZBPB-UHFFFAOYSA-N
Molecular Formula	C6H12BrCl

1,3-Dichloro-2-butene, cis + trans, 98%, stab. with BHT

CAS: 926-57-8 Molecular Formula: C4H6Cl2 Molecular Weight (g/mol): 124.99 MDL Number: MFCD00000861 InChI Key: WLIADPFXSACYLS-DUXPYHPUSA-N Synonym: 1,3-dichlorobutylene,unii-pwg1e5mrlj,1,3-dichloro-2-butene,trans-1,3-dichlorobutene-2,1,3-dichlorobut-2-ene,pwg1e5mrlj,2-butene, 1,3-dichloro-, e,2-butene, 1,3-dichloro,e-1,3-dichloro-2-butene,1,3-dichlorobutene-2 PubChem CID: 643911 SMILES: C\C(Cl)=C/CCl

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PubChem CID	643911
CAS	926-57-8
Molecular Weight (g/mol)	124.99
MDL Number	MFCD00000861
SMILES	C\C(Cl)=C/CCl
Synonym	1,3-dichlorobutylene,unii-pwg1e5mrlj,1,3-dichloro-2-butene,trans-1,3-dichlorobutene-2,1,3-dichlorobut-2-ene,pwg1e5mrlj,2-butene, 1,3-dichloro-, e,2-butene, 1,3-dichloro,e-1,3-dichloro-2-butene,1,3-dichlorobutene-2
InChI Key	WLIADPFXSACYLS-DUXPYHPUSA-N
Molecular Formula	C4H6Cl2

1-Chloro-2-octyne, 98%, Thermo Scientific Chemicals

CAS: 51575-83-8 Molecular Formula: C8H13Cl Molecular Weight (g/mol): 144.642 MDL Number: MFCD00274223 InChI Key: OUMUOQQKEAGFCJ-UHFFFAOYSA-N Synonym: 1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa PubChem CID: 4349444 IUPAC Name: 1-chlorooct-2-yne SMILES: CCCCCC#CCCl

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PubChem CID	4349444
CAS	51575-83-8
Molecular Weight (g/mol)	144.642
MDL Number	MFCD00274223
SMILES	CCCCCC#CCCl
Synonym	1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa
IUPAC Name	1-chlorooct-2-yne
InChI Key	OUMUOQQKEAGFCJ-UHFFFAOYSA-N
Molecular Formula	C8H13Cl

Allyl chloride, 98%, stab. with propylene oxide, Thermo Scientific Chemicals

CAS: 107-05-1 Molecular Formula: C3H5Cl MDL Number: MFCD00000984 InChI Key: OSDWBNJEKMUWAV-UHFFFAOYSA-N Synonym: allyl chloride,3-chloro-1-propene,1-propene, 3-chloro,3-chloropropylene,3-chloropropene,chlorallylene,allylchlorid,2-propenyl chloride,1-chloro-2-propene,allylchloride PubChem CID: 7850 ChEBI: CHEBI:82379 IUPAC Name: 3-chloroprop-1-ene

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PubChem CID	7850
CAS	107-05-1
ChEBI	CHEBI:82379
MDL Number	MFCD00000984
Synonym	allyl chloride,3-chloro-1-propene,1-propene, 3-chloro,3-chloropropylene,3-chloropropene,chlorallylene,allylchlorid,2-propenyl chloride,1-chloro-2-propene,allylchloride
IUPAC Name	3-chloroprop-1-ene
InChI Key	OSDWBNJEKMUWAV-UHFFFAOYSA-N
Molecular Formula	C3H5Cl

2-Chloroethylamine hydrochloride, 98+%

CAS: 870-24-6 Molecular Formula: C2H7Cl2N Molecular Weight (g/mol): 115.99 MDL Number: MFCD00012887,MFCD00137399 InChI Key: ONRREFWJTRBDRA-UHFFFAOYSA-N Synonym: 2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl PubChem CID: 9793737 IUPAC Name: 2-chloroethanamine;hydrochloride SMILES: [Cl-].[NH3+]CCCl

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PubChem CID	9793737
CAS	870-24-6
Molecular Weight (g/mol)	115.99
MDL Number	MFCD00012887,MFCD00137399
SMILES	[Cl-].[NH3+]CCCl
Synonym	2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl
IUPAC Name	2-chloroethanamine;hydrochloride
InChI Key	ONRREFWJTRBDRA-UHFFFAOYSA-N
Molecular Formula	C2H7Cl2N

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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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

Organochlorides

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