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

1,2-Dichloropropane, 98%, pure

CAS: 78-87-5 Molecular Formula: C3H6Cl2 Molecular Weight (g/mol): 112.98 MDL Number: MFCD00000868 InChI Key: KNKRKFALVUDBJE-UHFFFAOYNA-N Synonym: propylene dichloride,propane, 1,2-dichloro,propylene chloride,dwuchloropropan,bichlorure de propylene,rcra waste number u083,caswell no. 324,dwuchloropropan polish,alpha,beta-dichloropropane,ccris 951 PubChem CID: 6564 ChEBI: CHEBI:82163 IUPAC Name: 1,2-dichloropropane SMILES: CC(Cl)CCl

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Specifications

PubChem CID	6564
CAS	78-87-5
Molecular Weight (g/mol)	112.98
ChEBI	CHEBI:82163
MDL Number	MFCD00000868
SMILES	CC(Cl)CCl
Synonym	propylene dichloride,propane, 1,2-dichloro,propylene chloride,dwuchloropropan,bichlorure de propylene,rcra waste number u083,caswell no. 324,dwuchloropropan polish,alpha,beta-dichloropropane,ccris 951
IUPAC Name	1,2-dichloropropane
InChI Key	KNKRKFALVUDBJE-UHFFFAOYNA-N
Molecular Formula	C3H6Cl2

4-Chlorobutyl acetate, 98%

CAS: 6962-92-1 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00001013 InChI Key: PYLDCZJUHYVOAF-UHFFFAOYSA-N Synonym: 1-acetoxy-4-chlorobutane,4-chloro-n-butyl acetate,1-chloro-4-acetoxybutane,1-butanol, 4-chloro-, acetate,4-chlorobutylacetate,4-chloro-1-butanol acetate,4-chlorbut-1-ylacetat,delta-chlorobutyl acetate,1-butanol, 4-chloro-, 1-acetate,4-chlorbut-1-ylacetat german PubChem CID: 23399 IUPAC Name: 4-chlorobutyl acetate SMILES: CC(=O)OCCCCCl

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Specifications

PubChem CID	23399
CAS	6962-92-1
Molecular Weight (g/mol)	150.602
MDL Number	MFCD00001013
SMILES	CC(=O)OCCCCCl
Synonym	1-acetoxy-4-chlorobutane,4-chloro-n-butyl acetate,1-chloro-4-acetoxybutane,1-butanol, 4-chloro-, acetate,4-chlorobutylacetate,4-chloro-1-butanol acetate,4-chlorbut-1-ylacetat,delta-chlorobutyl acetate,1-butanol, 4-chloro-, 1-acetate,4-chlorbut-1-ylacetat german
IUPAC Name	4-chlorobutyl acetate
InChI Key	PYLDCZJUHYVOAF-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

1,4-Dichlorobutane, 99%

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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Specifications

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

Isobutyl chloroformate, 98%

CAS: 543-27-1 Molecular Formula: C₅H₉ClO₂ Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000642 InChI Key: YOETUEMZNOLGDB-UHFFFAOYSA-N Synonym: isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob PubChem CID: 62365 IUPAC Name: 2-methylpropyl carbonochloridate SMILES: CC(C)COC(=O)Cl

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Specifications

PubChem CID	62365
CAS	543-27-1
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00000642
SMILES	CC(C)COC(=O)Cl
Synonym	isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob
IUPAC Name	2-methylpropyl carbonochloridate
InChI Key	YOETUEMZNOLGDB-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₂

Chloroform, ≥99.5%, Solstice

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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Specifications

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

1-Chloro-4-phenylbutane, 97%

CAS: 4830-93-7 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.664 MDL Number: MFCD00037117 InChI Key: FLLZCZIHURYEQP-UHFFFAOYSA-N Synonym: 4-chlorobutyl benzene,1-chloro-4-phenylbutane,4-phenylbutyl chloride,1-4-chlorobutyl benzene,benzene, 4-chlorobutyl,phenylbutylchloride,1-chloro4-phenylbutane,acmc-209kcr,4-phenyl-1-chlorobutane,4-phenyl-n-butyl chloride PubChem CID: 78543 IUPAC Name: 4-chlorobutylbenzene SMILES: C1=CC=C(C=C1)CCCCCl

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Specifications

PubChem CID	78543
CAS	4830-93-7
Molecular Weight (g/mol)	168.664
MDL Number	MFCD00037117
SMILES	C1=CC=C(C=C1)CCCCCl
Synonym	4-chlorobutyl benzene,1-chloro-4-phenylbutane,4-phenylbutyl chloride,1-4-chlorobutyl benzene,benzene, 4-chlorobutyl,phenylbutylchloride,1-chloro4-phenylbutane,acmc-209kcr,4-phenyl-1-chlorobutane,4-phenyl-n-butyl chloride
IUPAC Name	4-chlorobutylbenzene
InChI Key	FLLZCZIHURYEQP-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

trans-1,2-Dichloroethylene, 98%, stab. with 4-methoxyphenol

CAS: 156-60-5 Molecular Formula: C2H2Cl2 Molecular Weight (g/mol): 96.94 MDL Number: MFCD00062942 InChI Key: KFUSEUYYWQURPO-OWOJBTEDSA-N Synonym: trans-1,2-dichloroethylene,trans-1,2-dichloroethene,e-1,2-dichloroethene,e-1,2-dichloroethylene,trans-dichloroethylene,trans-acetylene dichloride,1,2-trans-dichloroethylene,acetylene dichloride,ethene, 1,2-dichloro-, 1e,dioform PubChem CID: 638186 ChEBI: CHEBI:29027 IUPAC Name: (E)-1,2-dichloroethene SMILES: Cl\C=C\Cl

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Specifications

PubChem CID	638186
CAS	156-60-5
Molecular Weight (g/mol)	96.94
ChEBI	CHEBI:29027
MDL Number	MFCD00062942
SMILES	Cl\C=C\Cl
Synonym	trans-1,2-dichloroethylene,trans-1,2-dichloroethene,e-1,2-dichloroethene,e-1,2-dichloroethylene,trans-dichloroethylene,trans-acetylene dichloride,1,2-trans-dichloroethylene,acetylene dichloride,ethene, 1,2-dichloro-, 1e,dioform
IUPAC Name	(E)-1,2-dichloroethene
InChI Key	KFUSEUYYWQURPO-OWOJBTEDSA-N
Molecular Formula	C2H2Cl2

1-Bromo-3-chloropropane, 99%

CAS: 109-70-6 Molecular Formula: C3H6BrCl Molecular Weight (g/mol): 157.435 MDL Number: MFCD00000998 InChI Key: MFESCIUQSIBMSM-UHFFFAOYSA-N Synonym: trimethylene chlorobromide,1-chloro-3-bromopropane,3-bromopropyl chloride,3-chloropropyl bromide,propane, 1-bromo-3-chloro,3-chloro-1-bromopropane,3-bromo-1-chloropropane,trimethylene bromide chloride,1,3-chbp,1,3-chlorbromopropane PubChem CID: 8006 IUPAC Name: 1-bromo-3-chloropropane SMILES: C(CCl)CBr

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Specifications

PubChem CID	8006
CAS	109-70-6
Molecular Weight (g/mol)	157.435
MDL Number	MFCD00000998
SMILES	C(CCl)CBr
Synonym	trimethylene chlorobromide,1-chloro-3-bromopropane,3-bromopropyl chloride,3-chloropropyl bromide,propane, 1-bromo-3-chloro,3-chloro-1-bromopropane,3-bromo-1-chloropropane,trimethylene bromide chloride,1,3-chbp,1,3-chlorbromopropane
IUPAC Name	1-bromo-3-chloropropane
InChI Key	MFESCIUQSIBMSM-UHFFFAOYSA-N
Molecular Formula	C3H6BrCl

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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Specifications

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

trans-1,2-Dichloroethylene, 99+%, stabilized

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Specifications

PubChem CID	638186
CAS	156-60-5
Molecular Weight (g/mol)	96.94
ChEBI	CHEBI:29027
MDL Number	MFCD00062942
SMILES	Cl\C=C\Cl
Synonym	trans-1,2-dichloroethylene,trans-1,2-dichloroethene,e-1,2-dichloroethene,e-1,2-dichloroethylene,trans-dichloroethylene,trans-acetylene dichloride,1,2-trans-dichloroethylene,acetylene dichloride,ethene, 1,2-dichloro-, 1e,dioform
IUPAC Name	(E)-1,2-dichloroethene
InChI Key	KFUSEUYYWQURPO-OWOJBTEDSA-N
Molecular Formula	C2H2Cl2

cis-1,4-Dichloro-2-butene, 95%

CAS: 1476-11-5 Molecular Formula: C4H6Cl2 MDL Number: MFCD00062950 InChI Key: FQDIANVAWVHZIR-UPHRSURJSA-N Synonym: cis-1,4-dichloro-2-butene,z-1,4-dichlorobut-2-ene,1,4-dichloro-cis-2-butene,2-butene, 1,4-dichloro-, z,cis-1,4-dichlorobut-2-ene,unii-bqs2752i90,ccris 2651,cis 1,4-dichlorobutene,2-butene, 1,4-dichloro-, cis,cis-2,3-dichlorobut-2-ene PubChem CID: 6432115 IUPAC Name: (Z)-1,4-dichlorobut-2-ene

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Specifications

PubChem CID	6432115
CAS	1476-11-5
MDL Number	MFCD00062950
Synonym	cis-1,4-dichloro-2-butene,z-1,4-dichlorobut-2-ene,1,4-dichloro-cis-2-butene,2-butene, 1,4-dichloro-, z,cis-1,4-dichlorobut-2-ene,unii-bqs2752i90,ccris 2651,cis 1,4-dichlorobutene,2-butene, 1,4-dichloro-, cis,cis-2,3-dichlorobut-2-ene
IUPAC Name	(Z)-1,4-dichlorobut-2-ene
InChI Key	FQDIANVAWVHZIR-UPHRSURJSA-N
Molecular Formula	C4H6Cl2

Allyl chloroformate, 97%

CAS: 2937-50-0 Molecular Formula: C₄H₅ClO₂ Molecular Weight (g/mol): 120.54 MDL Number: MFCD00000648 InChI Key: CAEWJEXPFKNBQL-UHFFFAOYSA-N Synonym: allyl chloroformate,chloroformic acid allyl ester,allyl chlorocarbonate,allylchloroformate,2-propenyl chloroformate,carbonochloridic acid, 2-propenyl ester,formic acid, chloro-, allyl ester,hsdb 621,allylester kyseliny chlormravenci,allylester kyseliny chlormravenci czech PubChem CID: 18052 IUPAC Name: prop-2-enyl carbonochloridate SMILES: C=CCOC(=O)Cl

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Specifications

PubChem CID	18052
CAS	2937-50-0
Molecular Weight (g/mol)	120.54
MDL Number	MFCD00000648
SMILES	C=CCOC(=O)Cl
Synonym	allyl chloroformate,chloroformic acid allyl ester,allyl chlorocarbonate,allylchloroformate,2-propenyl chloroformate,carbonochloridic acid, 2-propenyl ester,formic acid, chloro-, allyl ester,hsdb 621,allylester kyseliny chlormravenci,allylester kyseliny chlormravenci czech
IUPAC Name	prop-2-enyl carbonochloridate
InChI Key	CAEWJEXPFKNBQL-UHFFFAOYSA-N
Molecular Formula	C₄H₅ClO₂

tert-Butyl 2,2,2-trichloroacetimidate, 95%

CAS: 98946-18-0 Molecular Formula: C6H10Cl3NO Molecular Weight (g/mol): 218.50 MDL Number: MFCD00077410 InChI Key: CQXDYHPBXDZWBA-UHFFFAOYSA-N Synonym: tert-butyl 2,2,2-trichloroacetimidate,tert-butyl trichloroacetimidate,tert-butyl-2,2,2-trichloroacetimidate,tert-butyl 2,2,2-trichloroethanecarboximidate,2,2,2-trichloroacetimidic acid tert-butyl ester,t-butyl trichloroacetimidate,t-butyl 2,2,2-trichloroacetimidate,tert-butyl2,2,2-trichloroacetimidate,ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester,1-tert-butoxy-2,2,2-trichloroethanimine PubChem CID: 2734700 IUPAC Name: tert-butyl 2,2,2-trichloroethanimidate SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl

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Specifications

PubChem CID	2734700
CAS	98946-18-0
Molecular Weight (g/mol)	218.50
MDL Number	MFCD00077410
SMILES	CC(C)(C)OC(=N)C(Cl)(Cl)Cl
Synonym	tert-butyl 2,2,2-trichloroacetimidate,tert-butyl trichloroacetimidate,tert-butyl-2,2,2-trichloroacetimidate,tert-butyl 2,2,2-trichloroethanecarboximidate,2,2,2-trichloroacetimidic acid tert-butyl ester,t-butyl trichloroacetimidate,t-butyl 2,2,2-trichloroacetimidate,tert-butyl2,2,2-trichloroacetimidate,ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester,1-tert-butoxy-2,2,2-trichloroethanimine
IUPAC Name	tert-butyl 2,2,2-trichloroethanimidate
InChI Key	CQXDYHPBXDZWBA-UHFFFAOYSA-N
Molecular Formula	C6H10Cl3NO

Hexachloroethane, 99%

CAS: 67-72-1 Molecular Formula: C2Cl6 Molecular Weight (g/mol): 236.72 MDL Number: MFCD00000799 InChI Key: VHHHONWQHHHLTI-UHFFFAOYSA-N Synonym: hexachloroethane,perchloroethane,ethane, hexachloro,avlothane,carbon hexachloride,hexachlorethane,mottenhexe,distokal,distopan,distopin PubChem CID: 6214 ChEBI: CHEBI:39227 SMILES: ClC(Cl)(Cl)C(Cl)(Cl)Cl

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Specifications

PubChem CID	6214
CAS	67-72-1
Molecular Weight (g/mol)	236.72
ChEBI	CHEBI:39227
MDL Number	MFCD00000799
SMILES	ClC(Cl)(Cl)C(Cl)(Cl)Cl
Synonym	hexachloroethane,perchloroethane,ethane, hexachloro,avlothane,carbon hexachloride,hexachlorethane,mottenhexe,distokal,distopan,distopin
InChI Key	VHHHONWQHHHLTI-UHFFFAOYSA-N
Molecular Formula	C2Cl6

Organochlorides

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