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

Benzyl chloroformate, 97 wt%, stabilized

CAS: 501-53-1 Molecular Formula: C₈H₇ClO₂ Molecular Weight (g/mol): 170.6 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)	170.6
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

Tetrachloroethylene, 99%, extra pure

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 IUPAC Name: 1,1,2,2-tetrachloroethene 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
IUPAC Name	1,1,2,2-tetrachloroethene
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

Trichloroacetonitrile, 98%

CAS: 545-06-2 Molecular Formula: C₂Cl₃N Molecular Weight (g/mol): 144.39 InChI Key: DRUIESSIVFYOMK-UHFFFAOYSA-N Synonym: trichloroacetonitrile,acetonitrile, trichloro,tritox,cyanotrichloromethane,trichloromethyl cyanide,trichloroethanenitrile,trichlouracetonitril,trichlor-acetonitrile,trichloromethylnitrile,nitrile trichloracetique PubChem CID: 11011 ChEBI: CHEBI:82541 IUPAC Name: 2,2,2-trichloroacetonitrile SMILES: C(#N)C(Cl)(Cl)Cl

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PubChem CID	11011
CAS	545-06-2
Molecular Weight (g/mol)	144.39
ChEBI	CHEBI:82541
SMILES	C(#N)C(Cl)(Cl)Cl
Synonym	trichloroacetonitrile,acetonitrile, trichloro,tritox,cyanotrichloromethane,trichloromethyl cyanide,trichloroethanenitrile,trichlouracetonitril,trichlor-acetonitrile,trichloromethylnitrile,nitrile trichloracetique
IUPAC Name	2,2,2-trichloroacetonitrile
InChI Key	DRUIESSIVFYOMK-UHFFFAOYSA-N
Molecular Formula	C₂Cl₃N

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

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Specifications

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

Dichloroacetonitrile, 98+%

CAS: 3018-12-0 Molecular Formula: C2HCl2N Molecular Weight (g/mol): 109.937 MDL Number: MFCD00040886 InChI Key: STZZWJCGRKXEFF-UHFFFAOYSA-N Synonym: dichloroacetonitrile,acetonitrile, dichloro,dichloromethyl cyanide,ccris 942,unii-o0l64v63m9,dichloro acetonitrile,pubchem17242,acmc-209hdn,dsstox_cid_1562 PubChem CID: 18177 ChEBI: CHEBI:82444 IUPAC Name: 2,2-dichloroacetonitrile SMILES: C(#N)C(Cl)Cl

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Specifications

PubChem CID	18177
CAS	3018-12-0
Molecular Weight (g/mol)	109.937
ChEBI	CHEBI:82444
MDL Number	MFCD00040886
SMILES	C(#N)C(Cl)Cl
Synonym	dichloroacetonitrile,acetonitrile, dichloro,dichloromethyl cyanide,ccris 942,unii-o0l64v63m9,dichloro acetonitrile,pubchem17242,acmc-209hdn,dsstox_cid_1562
IUPAC Name	2,2-dichloroacetonitrile
InChI Key	STZZWJCGRKXEFF-UHFFFAOYSA-N
Molecular Formula	C2HCl2N

tert-Butyl chloride, 98+%

CAS: 507-20-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 MDL Number: MFCD00000816 InChI Key: NBRKLOOSMBRFMH-UHFFFAOYSA-N Synonym: tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride PubChem CID: 10486 IUPAC Name: 2-chloro-2-methylpropane SMILES: CC(C)(C)Cl

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Specifications

PubChem CID	10486
CAS	507-20-0
Molecular Weight (g/mol)	92.566
MDL Number	MFCD00000816
SMILES	CC(C)(C)Cl
Synonym	tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride
IUPAC Name	2-chloro-2-methylpropane
InChI Key	NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

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

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Specifications

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

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

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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-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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Specifications

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

Ethyl chloroformate, 97%

CAS: 541-41-3 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000644 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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Specifications

PubChem CID	10928
CAS	541-41-3
Molecular Weight (g/mol)	108.521
MDL Number	MFCD00000644
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
Molecular Formula	C3H5ClO2

2,2,2-Trichloroethyl chloroformate, 97%

CAS: 17341-93-4 Molecular Formula: C3H2Cl4O2 Molecular Weight (g/mol): 211.847 MDL Number: MFCD00000810 InChI Key: LJCZNYWLQZZIOS-UHFFFAOYSA-N Synonym: 2,2,2-trichloroethyl chloroformate,trichloroethyl chloroformate,2,2,2-trichloroethylchloroformate,carbonochloridic acid, 2,2,2-trichloroethyl ester,2,2,2-trichloroethoxycarbonyl chloride,chloroformic acid 2,2,2-trichloroethyl ester,formic acid, chloro-, 2,2,2-trichloroethyl ester,chloro 2,2,2-trichloroethoxy methanone,beta, beta, beta-trichloroethoxycarbonyl chloride,troc PubChem CID: 87063 IUPAC Name: 2,2,2-trichloroethyl carbonochloridate SMILES: C(C(Cl)(Cl)Cl)OC(=O)Cl

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Specifications

PubChem CID	87063
CAS	17341-93-4
Molecular Weight (g/mol)	211.847
MDL Number	MFCD00000810
SMILES	C(C(Cl)(Cl)Cl)OC(=O)Cl
Synonym	2,2,2-trichloroethyl chloroformate,trichloroethyl chloroformate,2,2,2-trichloroethylchloroformate,carbonochloridic acid, 2,2,2-trichloroethyl ester,2,2,2-trichloroethoxycarbonyl chloride,chloroformic acid 2,2,2-trichloroethyl ester,formic acid, chloro-, 2,2,2-trichloroethyl ester,chloro 2,2,2-trichloroethoxy methanone,beta, beta, beta-trichloroethoxycarbonyl chloride,troc
IUPAC Name	2,2,2-trichloroethyl carbonochloridate
InChI Key	LJCZNYWLQZZIOS-UHFFFAOYSA-N
Molecular Formula	C3H2Cl4O2

2-Chloro-2-methylpropane, 99%

CAS: 507-20-0 Molecular Formula: C₄H₉Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00000816 InChI Key: NBRKLOOSMBRFMH-UHFFFAOYSA-N Synonym: tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride PubChem CID: 10486 IUPAC Name: 2-chloro-2-methylpropane SMILES: CC(C)(C)Cl

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Specifications

PubChem CID	10486
CAS	507-20-0
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00000816
SMILES	CC(C)(C)Cl
Synonym	tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride
IUPAC Name	2-chloro-2-methylpropane
InChI Key	NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular Formula	C₄H₉Cl

Ethyl chloroformate, 99%, AcroSeal™

CAS: 541-41-3 Molecular Formula: C₃H₅ClO₂ Molecular Weight (g/mol): 108.52 MDL Number: MFCD00000644 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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Specifications

PubChem CID	10928
CAS	541-41-3
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00000644
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
Molecular Formula	C₃H₅ClO₂

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

Organochlorides

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