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Organochlorides

Organic compounds that contain one or more chlorine atoms.

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1,1,2-Trichloroethane, 98%

CAS: 79-00-5 Molecular Formula: C2H3Cl3 Molecular Weight (g/mol): 133.40 MDL Number: MFCD00000852 InChI Key: UBOXGVDOUJQMTN-UHFFFAOYSA-N Synonym: ethane, 1,1,2-trichloro,vinyltrichloride,beta-trichloroethane,1,1,2-trichlorethane,vinyl trichloride,1,2,2-trichloroethane,ethane trichloride,rcra waste number u227,rcra waste number u359,.beta.-t PubChem CID: 6574 ChEBI: CHEBI:36018 IUPAC Name: 1,1,2-trichloroethane SMILES: ClCC(Cl)Cl

PubChem CID 6574
CAS 79-00-5
Molecular Weight (g/mol) 133.40
ChEBI CHEBI:36018
MDL Number MFCD00000852
SMILES ClCC(Cl)Cl
Synonym ethane, 1,1,2-trichloro,vinyltrichloride,beta-trichloroethane,1,1,2-trichlorethane,vinyl trichloride,1,2,2-trichloroethane,ethane trichloride,rcra waste number u227,rcra waste number u359,.beta.-t
IUPAC Name 1,1,2-trichloroethane
InChI Key UBOXGVDOUJQMTN-UHFFFAOYSA-N
Molecular Formula C2H3Cl3
2

3-Chloropropionitrile, 98%

CAS: 542-76-7 Molecular Formula: C3H4ClN Molecular Weight (g/mol): 89.52 MDL Number: MFCD00001952 InChI Key: GNHMRTZZNHZDDM-UHFFFAOYSA-N Synonym: 3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027 PubChem CID: 10963 IUPAC Name: 3-chloropropanenitrile SMILES: ClCCC#N

PubChem CID 10963
CAS 542-76-7
Molecular Weight (g/mol) 89.52
MDL Number MFCD00001952
SMILES ClCCC#N
Synonym 3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027
IUPAC Name 3-chloropropanenitrile
InChI Key GNHMRTZZNHZDDM-UHFFFAOYSA-N
Molecular Formula C3H4ClN
3
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1,1'-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane adduct, Thermo Scientific Chemicals

CAS: 95464-05-4 Molecular Formula: C35H30Cl4FeP2Pd Molecular Weight (g/mol): 816.64 MDL Number: MFCD00792899 IUPAC Name: Bis(diphenylphosphino)ferrocene]palladium(II) chloride SMILES: [Fe].ClCCl.Cl[Pd]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1

CAS 95464-05-4
Molecular Weight (g/mol) 816.64
MDL Number MFCD00792899
SMILES [Fe].ClCCl.Cl[Pd]Cl.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name Bis(diphenylphosphino)ferrocene]palladium(II) chloride
Molecular Formula C35H30Cl4FeP2Pd
4

1,2-Dichloropropane, 98%

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

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
5

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

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
7

1,6-Dichlorohexane, 98%

CAS: 2163-00-0 Molecular Formula: C6H12Cl2 Molecular Weight (g/mol): 155.062 MDL Number: MFCD00001020 InChI Key: OVISMSJCKCDOPU-UHFFFAOYSA-N Synonym: hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml PubChem CID: 16551 IUPAC Name: 1,6-dichlorohexane SMILES: C(CCCCl)CCCl

PubChem CID 16551
CAS 2163-00-0
Molecular Weight (g/mol) 155.062
MDL Number MFCD00001020
SMILES C(CCCCl)CCCl
Synonym hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml
IUPAC Name 1,6-dichlorohexane
InChI Key OVISMSJCKCDOPU-UHFFFAOYSA-N
Molecular Formula C6H12Cl2
8

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

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
9

1-Chlorooctadecane, 94%

CAS: 3386-33-2 Molecular Formula: C18H37Cl Molecular Weight (g/mol): 288.94 MDL Number: MFCD00000960 InChI Key: VUQPJRPDRDVQMN-UHFFFAOYSA-N Synonym: octadecyl chloride,octadecane, 1-chloro,n-octadecyl chloride,1-chloroctadecane,chlorooctadecane,octadecane, chloro,unii-73h8vd533i,1-chloranyloctadecane,stearylchloride,acmc-1cnf6 PubChem CID: 18815 IUPAC Name: 1-chlorooctadecane SMILES: CCCCCCCCCCCCCCCCCCCl

PubChem CID 18815
CAS 3386-33-2
Molecular Weight (g/mol) 288.94
MDL Number MFCD00000960
SMILES CCCCCCCCCCCCCCCCCCCl
Synonym octadecyl chloride,octadecane, 1-chloro,n-octadecyl chloride,1-chloroctadecane,chlorooctadecane,octadecane, chloro,unii-73h8vd533i,1-chloranyloctadecane,stearylchloride,acmc-1cnf6
IUPAC Name 1-chlorooctadecane
InChI Key VUQPJRPDRDVQMN-UHFFFAOYSA-N
Molecular Formula C18H37Cl
10

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

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
11

1-Chlorohexane, 96%

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

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
12

Chlorocarbonylsulfenyl chloride, 97%

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 IUPAC Name: S-chloro chloromethanethioate SMILES: ClSC(Cl)=O

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
IUPAC Name S-chloro chloromethanethioate
InChI Key MNOALXGAYUJNKX-UHFFFAOYSA-N
Molecular Formula CCl2OS
13

1,5-Dichloropentane, 98%

CAS: 628-76-2 Molecular Formula: C5H10Cl2 Molecular Weight (g/mol): 141.035 MDL Number: MFCD00001017 InChI Key: LBKDGROORAKTLC-UHFFFAOYSA-N Synonym: pentamethylene chloride,pentane, 1,5-dichloro,pentamethylene dichloride,amylene chloride,unii-6n4a5v83we,1,5-dichlorobutane,pentane,5-dichloro,acmc-1ay6s,1,5-bis chloranyl pentane,wln: g5g PubChem CID: 12353 IUPAC Name: 1,5-dichloropentane SMILES: C(CCCl)CCCl

PubChem CID 12353
CAS 628-76-2
Molecular Weight (g/mol) 141.035
MDL Number MFCD00001017
SMILES C(CCCl)CCCl
Synonym pentamethylene chloride,pentane, 1,5-dichloro,pentamethylene dichloride,amylene chloride,unii-6n4a5v83we,1,5-dichlorobutane,pentane,5-dichloro,acmc-1ay6s,1,5-bis chloranyl pentane,wln: g5g
IUPAC Name 1,5-dichloropentane
InChI Key LBKDGROORAKTLC-UHFFFAOYSA-N
Molecular Formula C5H10Cl2
14

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

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
15

1-Chloro-3-methylbutane, 98%

CAS: 107-84-6 Molecular Formula: C5H11Cl Molecular Weight (g/mol): 106.593 MDL Number: MFCD00013693 InChI Key: CZHLPWNZCJEPJB-UHFFFAOYSA-N Synonym: isoamyl chloride,butane, 1-chloro-3-methyl,3-methylbutyl chloride,isopentyl chloride,4-chloro-2-methylbutane,1-chloro-3,3-dimethylpropane,unii-87d3zl9f7a,isoamylchlorid,acmc-2098xt,1-chloro-3-methyl-butane PubChem CID: 7893 IUPAC Name: 1-chloro-3-methylbutane SMILES: CC(C)CCCl

PubChem CID 7893
CAS 107-84-6
Molecular Weight (g/mol) 106.593
MDL Number MFCD00013693
SMILES CC(C)CCCl
Synonym isoamyl chloride,butane, 1-chloro-3-methyl,3-methylbutyl chloride,isopentyl chloride,4-chloro-2-methylbutane,1-chloro-3,3-dimethylpropane,unii-87d3zl9f7a,isoamylchlorid,acmc-2098xt,1-chloro-3-methyl-butane
IUPAC Name 1-chloro-3-methylbutane
InChI Key CZHLPWNZCJEPJB-UHFFFAOYSA-N
Molecular Formula C5H11Cl