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

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

6-Chloro-2-hexanone, 98%

CAS: 10226-30-9 Molecular Formula: C6H11ClO Molecular Weight (g/mol): 134.603 MDL Number: MFCD00191625 InChI Key: CMDIDTNMHQUVPE-UHFFFAOYSA-N Synonym: 6-chloro-2-hexanone,1-chloro-5-hexanone,2-hexanone, 6-chloro,1-chlorohexan-5-one,1-chlorohexane-5-one,4-chlorobutyl methyl ketone,chlorohexanone,1-chloro-hexan-5-one,6-chloro-hexan-2-one,6-chloranylhexan-2-one PubChem CID: 82468 IUPAC Name: 6-chlorohexan-2-one SMILES: CC(=O)CCCCCl

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PubChem CID	82468
CAS	10226-30-9
Molecular Weight (g/mol)	134.603
MDL Number	MFCD00191625
SMILES	CC(=O)CCCCCl
Synonym	6-chloro-2-hexanone,1-chloro-5-hexanone,2-hexanone, 6-chloro,1-chlorohexan-5-one,1-chlorohexane-5-one,4-chlorobutyl methyl ketone,chlorohexanone,1-chloro-hexan-5-one,6-chloro-hexan-2-one,6-chloranylhexan-2-one
IUPAC Name	6-chlorohexan-2-one
InChI Key	CMDIDTNMHQUVPE-UHFFFAOYSA-N
Molecular Formula	C6H11ClO

5-chloro-2-pentanone, 90%

CAS: 5891-21-4 Molecular Formula: C₅H₉ClO Molecular Weight (g/mol): 120.58 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)	120.58
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

Tetrachloroethylene, ≥99.5%, Honeywell™

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: 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	tetrachloroethene
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

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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Specifications

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

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

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

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

1-Chloroethyl chloroformate, 98%

CAS: 50893-53-3 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.96 MDL Number: MFCD00000647 InChI Key: QOPVNWQGBQYBBP-UHFFFAOYNA-N Synonym: 1-chloroethyl chloroformate,chloroformic acid 1-chloroethyl ester,1-chloro ethyl chloroformate,1-chloroethylchloroformate,carbonochloridic acid, 1-chloroethyl ester,ace-cl,alpha-chloroethyl chloroformate,chloro 1-chloroethoxy methanone,.alpha.-chloroethyl chloroformate,pubchem17418 PubChem CID: 521305 IUPAC Name: 1-chloroethyl carbonochloridate SMILES: CC(Cl)OC(Cl)=O

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Specifications

PubChem CID	521305
CAS	50893-53-3
Molecular Weight (g/mol)	142.96
MDL Number	MFCD00000647
SMILES	CC(Cl)OC(Cl)=O
Synonym	1-chloroethyl chloroformate,chloroformic acid 1-chloroethyl ester,1-chloro ethyl chloroformate,1-chloroethylchloroformate,carbonochloridic acid, 1-chloroethyl ester,ace-cl,alpha-chloroethyl chloroformate,chloro 1-chloroethoxy methanone,.alpha.-chloroethyl chloroformate,pubchem17418
IUPAC Name	1-chloroethyl carbonochloridate
InChI Key	QOPVNWQGBQYBBP-UHFFFAOYNA-N
Molecular Formula	C3H4Cl2O2

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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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

Chloromethyl pivalate, 97%

CAS: 18997-19-8 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.60 MDL Number: MFCD00000884 InChI Key: GGRHYQCXXYLUTL-UHFFFAOYSA-N Synonym: chloromethyl pivalate,propanoic acid, 2,2-dimethyl-, chloromethyl ester,pivalic acid chloromethyl ester,pivaloyloxymethyl chloride,pivaloylmethyl chloride,chloromethyl trimethylacetate,2,2-dimethylpropionic acid chloromethyl ester,chioromethyl pivalate,chloromethyl pivaloate,chloro-methyl pivalate PubChem CID: 87885 IUPAC Name: chloromethyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OCCl

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PubChem CID	87885
CAS	18997-19-8
Molecular Weight (g/mol)	150.60
MDL Number	MFCD00000884
SMILES	CC(C)(C)C(=O)OCCl
Synonym	chloromethyl pivalate,propanoic acid, 2,2-dimethyl-, chloromethyl ester,pivalic acid chloromethyl ester,pivaloyloxymethyl chloride,pivaloylmethyl chloride,chloromethyl trimethylacetate,2,2-dimethylpropionic acid chloromethyl ester,chioromethyl pivalate,chloromethyl pivaloate,chloro-methyl pivalate
IUPAC Name	chloromethyl 2,2-dimethylpropanoate
InChI Key	GGRHYQCXXYLUTL-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

5-Chlorovaleronitrile, 97%, Thermo Scientific™

CAS: 6280-87-1 Molecular Formula: C5H8ClN Molecular Weight (g/mol): 117.58 MDL Number: MFCD00001977 InChI Key: JSAWFGSXRPCFSW-UHFFFAOYSA-N Synonym: 5-chlorovaleronitrile,pentanenitrile, 5-chloro,5-chloro-n-valeronitrile,valeronitrile, 5-chloro,5-chloro valeronitrile,.delta.-chlorovaleronitrile,snxhfhaiuzjp@,5-chlorovaieronitrile,4-chlorobutyl cyanide,delta-chlorovaleronitrile PubChem CID: 80474 IUPAC Name: 5-chloropentanenitrile SMILES: ClCCCCC#N

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Specifications

PubChem CID	80474
CAS	6280-87-1
Molecular Weight (g/mol)	117.58
MDL Number	MFCD00001977
SMILES	ClCCCCC#N
Synonym	5-chlorovaleronitrile,pentanenitrile, 5-chloro,5-chloro-n-valeronitrile,valeronitrile, 5-chloro,5-chloro valeronitrile,.delta.-chlorovaleronitrile,snxhfhaiuzjp@,5-chlorovaieronitrile,4-chlorobutyl cyanide,delta-chlorovaleronitrile
IUPAC Name	5-chloropentanenitrile
InChI Key	JSAWFGSXRPCFSW-UHFFFAOYSA-N
Molecular Formula	C5H8ClN

2,3-Dichloro-1-propene, 98%

CAS: 78-88-6 Molecular Formula: C3H4Cl2 Molecular Weight (g/mol): 110.965 MDL Number: MFCD00000943 InChI Key: FALCMQXTWHPRIH-UHFFFAOYSA-N Synonym: 2,3-dichloropropene,2,3-dichloro-1-propene,2-chloroallyl chloride,2,3-dichloropropylene,1-propene, 2,3-dichloro,propene, 2,3-dichloro,1,2-dichloro-2-propene,propylene, 2,3-dichloro,ccris 956,unii-370tnk5i41 PubChem CID: 6565 IUPAC Name: 2,3-dichloroprop-1-ene SMILES: C=C(CCl)Cl

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Specifications

PubChem CID	6565
CAS	78-88-6
Molecular Weight (g/mol)	110.965
MDL Number	MFCD00000943
SMILES	C=C(CCl)Cl
Synonym	2,3-dichloropropene,2,3-dichloro-1-propene,2-chloroallyl chloride,2,3-dichloropropylene,1-propene, 2,3-dichloro,propene, 2,3-dichloro,1,2-dichloro-2-propene,propylene, 2,3-dichloro,ccris 956,unii-370tnk5i41
IUPAC Name	2,3-dichloroprop-1-ene
InChI Key	FALCMQXTWHPRIH-UHFFFAOYSA-N
Molecular Formula	C3H4Cl2

2-Chlorobutane, 99+%

CAS: 78-86-4 Molecular Formula: C₄H₉Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00000871 InChI Key: BSPCSKHALVHRSR-UHFFFAOYSA-N Synonym: sec-butyl chloride,butane, 2-chloro,1-methylpropyl chloride,2-chloro-butane,ccris 9391,alkanes, c11-14, 2-chloro,sec.-butyl chloride,sjphadilup@,sec-c4h9cl,acmc-209pfl PubChem CID: 6563 IUPAC Name: 2-chlorobutane SMILES: CCC(C)Cl

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PubChem CID	6563
CAS	78-86-4
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00000871
SMILES	CCC(C)Cl
Synonym	sec-butyl chloride,butane, 2-chloro,1-methylpropyl chloride,2-chloro-butane,ccris 9391,alkanes, c11-14, 2-chloro,sec.-butyl chloride,sjphadilup@,sec-c4h9cl,acmc-209pfl
IUPAC Name	2-chlorobutane
InChI Key	BSPCSKHALVHRSR-UHFFFAOYSA-N
Molecular Formula	C₄H₉Cl

Benzyl chloroformate, 3M (50 wt%) solution in toluene

CAS: 501-53-1 | C₈H₇ClO₂ | 170.6 g/mol

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Specifications

Linear Formula	C₆H₅CH₂OOCCl
Molecular Weight (g/mol)	170.6
CAS Min %	47.0
InChI Key	HSDAJNMJOMSNEV-UHFFFAOYSA-N
Density	1.0100g/mL
PubChem CID	10387
Name Note	50 wt. % Solution in Toluene
Percent Purity	45 to 53 wt%
Fieser	01,109; 02,59; 15,22
Formula Weight	170.6
CAS Max %	55.0
Physical Form	Solution
Chemical Name or Material	Benzyl chloroformate
SMILES	C1=CC=C(C=C1)COC(=O)Cl
Merck Index	15, 1801
CAS	100-44-7
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER or doctor/physician. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Do not breathe dust/fume/gas/mist/vapors/spray. IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician. Avoid release to the environment.
MDL Number	MFCD00000640
Health Hazard 2	GHS H Statement May cause drowsiness or dizziness. May cause cancer. May be fatal if swallowed and enters airways. May cause damage to organs through prolonged or repeated exposure. Very toxic to aquatic life with long lasting effects. Causes severe skin burns and eye damage. Suspected of damaging the unborn child. Highly flammable liquid and vapor.
Solubility Information	Solubility in water: decomposes
Packaging	Glass bottle
Flash Point	7°C
Health Hazard 1	GHS Signal Word: Danger
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
TSCA	TSCA
IUPAC Name	benzyl carbonochloridate
Beilstein	06, 437
Molecular Formula	C₈H₇ClO₂
EINECS Number	207-925-0
Specific Gravity	1.01

Organochlorides

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