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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Specifications

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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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

1,2-Dibromotetrachloroethane, 97%

CAS: 630-25-1 Molecular Formula: C₂Br₂Cl₄ Molecular Weight (g/mol): 325.63 MDL Number: MFCD00000780 InChI Key: WJUKOGPNGRUXMG-UHFFFAOYSA-N Synonym: 1,2-dibromotetrachloroethane,dbtce,sym-dibromotetrachloroethane,ethane, 1,2-dibromo-1,1,2,2-tetrachloro,unii-0sgg217efr,0sgg217efr,1,2-dibrom-1,1,2,2-tetrachlorethan,brccl2ccl2br,1,2-dibromotetrachloroethan,1,2-dibrom-tetrachlorethane PubChem CID: 69426 IUPAC Name: 1,2-dibromo-1,1,2,2-tetrachloroethane SMILES: C(C(Cl)(Cl)Br)(Cl)(Cl)Br

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Specifications

PubChem CID	69426
CAS	630-25-1
Molecular Weight (g/mol)	325.63
MDL Number	MFCD00000780
SMILES	C(C(Cl)(Cl)Br)(Cl)(Cl)Br
Synonym	1,2-dibromotetrachloroethane,dbtce,sym-dibromotetrachloroethane,ethane, 1,2-dibromo-1,1,2,2-tetrachloro,unii-0sgg217efr,0sgg217efr,1,2-dibrom-1,1,2,2-tetrachlorethan,brccl2ccl2br,1,2-dibromotetrachloroethan,1,2-dibrom-tetrachlorethane
IUPAC Name	1,2-dibromo-1,1,2,2-tetrachloroethane
InChI Key	WJUKOGPNGRUXMG-UHFFFAOYSA-N
Molecular Formula	C₂Br₂Cl₄

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

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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Specifications

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

2-Chlorobutane, 98+%

CAS: 78-86-4 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 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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Specifications

PubChem CID	6563
CAS	78-86-4
Molecular Weight (g/mol)	92.566
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

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

CAS: 78-88-6 Molecular Formula: C₃H₄Cl₂ Molecular Weight (g/mol): 110.97 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)	110.97
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

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

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Specifications

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

4-Chloro-1-butene, 98%, Thermo Scientific Chemicals

CAS: 927-73-1 Molecular Formula: C₄H₇Cl Molecular Weight (g/mol): 90.55 InChI Key: WKEVRZCQFQDCIR-UHFFFAOYSA-N Synonym: 4-chloro-1-butene,1-butene, 4-chloro,1-but-3-enyl chloride,ksc487m9b PubChem CID: 13565 IUPAC Name: 4-chlorobut-1-ene SMILES: C=CCCCl

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Specifications

PubChem CID	13565
CAS	927-73-1
Molecular Weight (g/mol)	90.55
SMILES	C=CCCCl
Synonym	4-chloro-1-butene,1-butene, 4-chloro,1-but-3-enyl chloride,ksc487m9b
IUPAC Name	4-chlorobut-1-ene
InChI Key	WKEVRZCQFQDCIR-UHFFFAOYSA-N
Molecular Formula	C₄H₇Cl

Trichloroethylene, 99.6%, ACS reagent, stabilized

CAS: 79-01-6 Molecular Formula: C₂HCl₃ Molecular Weight (g/mol): 131.39 MDL Number: MFCD00000838 InChI Key: XSTXAVWGXDQKEL-UHFFFAOYSA-N Synonym: trichloroethylene,trichloroethene,ethene, trichloro,trilene,trichlorethylene,ethinyl trichloride,ethylene trichloride,acetylene trichloride,chlorilen,narcogen PubChem CID: 6575 ChEBI: CHEBI:16602 IUPAC Name: 1,1,2-trichloroethene SMILES: C(=C(Cl)Cl)Cl

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Specifications

PubChem CID	6575
CAS	79-01-6
Molecular Weight (g/mol)	131.39
ChEBI	CHEBI:16602
MDL Number	MFCD00000838
SMILES	C(=C(Cl)Cl)Cl
Synonym	trichloroethylene,trichloroethene,ethene, trichloro,trilene,trichlorethylene,ethinyl trichloride,ethylene trichloride,acetylene trichloride,chlorilen,narcogen
IUPAC Name	1,1,2-trichloroethene
InChI Key	XSTXAVWGXDQKEL-UHFFFAOYSA-N
Molecular Formula	C₂HCl₃

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

1,1,2,2-Tetrachloroethane, 98+%

CAS: 79-34-5 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 167.838 MDL Number: MFCD00000848 InChI Key: QPFMBZIOSGYJDE-UHFFFAOYSA-N Synonym: s-tetrachloroethane,acetylene tetrachloride,ethane, 1,1,2,2-tetrachloro,bonoform,cellon,tetrachlorethane,sym-tetrachloroethane,westron,1,1,2,2-tetrachlorethane,1,1,2,2-tetrachloraethan PubChem CID: 6591 ChEBI: CHEBI:36026 IUPAC Name: 1,1,2,2-tetrachloroethane SMILES: C(C(Cl)Cl)(Cl)Cl

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Specifications

PubChem CID	6591
CAS	79-34-5
Molecular Weight (g/mol)	167.838
ChEBI	CHEBI:36026
MDL Number	MFCD00000848
SMILES	C(C(Cl)Cl)(Cl)Cl
Synonym	s-tetrachloroethane,acetylene tetrachloride,ethane, 1,1,2,2-tetrachloro,bonoform,cellon,tetrachlorethane,sym-tetrachloroethane,westron,1,1,2,2-tetrachlorethane,1,1,2,2-tetrachloraethan
IUPAC Name	1,1,2,2-tetrachloroethane
InChI Key	QPFMBZIOSGYJDE-UHFFFAOYSA-N
Molecular Formula	C2H2Cl4

Ethyl chloroformate, 99%, Thermo Scientific Chemicals

CAS: 541-41-3 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
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

Chloromethyl butyrate, 99%

CAS: 33657-49-7 Molecular Formula: C₅H₉ClO₂ Molecular Weight (g/mol): 136.58 MDL Number: MFCD00216961 InChI Key: BDPZFQLKFUONAG-UHFFFAOYSA-N Synonym: chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester PubChem CID: 2725008 IUPAC Name: chloromethyl butanoate SMILES: CCCC(=O)OCCl

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Specifications

PubChem CID	2725008
CAS	33657-49-7
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00216961
SMILES	CCCC(=O)OCCl
Synonym	chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester
IUPAC Name	chloromethyl butanoate
InChI Key	BDPZFQLKFUONAG-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₂

Diphosgene, 99%

CAS: 503-38-8 Molecular Formula: C2Cl4O2 Molecular Weight (g/mol): 197.82 MDL Number: MFCD00015553 InChI Key: HCUYBXPSSCRKRF-UHFFFAOYSA-N Synonym: diphosgene,trichloromethyl chloroformate,diphosgen,difosgen czech,perchloromethyl formate,unii-po4q4r80lv,hsdb 371,carbonochloridic acid, trichloromethyl ester,methanol, trichloro-, chloroformate,chloroformic acid trichloromethyl ester PubChem CID: 10426 IUPAC Name: trichloromethyl carbonochloridate SMILES: ClC(=O)OC(Cl)(Cl)Cl

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Specifications

PubChem CID	10426
CAS	503-38-8
Molecular Weight (g/mol)	197.82
MDL Number	MFCD00015553
SMILES	ClC(=O)OC(Cl)(Cl)Cl
Synonym	diphosgene,trichloromethyl chloroformate,diphosgen,difosgen czech,perchloromethyl formate,unii-po4q4r80lv,hsdb 371,carbonochloridic acid, trichloromethyl ester,methanol, trichloro-, chloroformate,chloroformic acid trichloromethyl ester
IUPAC Name	trichloromethyl carbonochloridate
InChI Key	HCUYBXPSSCRKRF-UHFFFAOYSA-N
Molecular Formula	C2Cl4O2

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