Organochlorides

Organic compounds that contain one or more chlorine atoms.

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alpha,alpha,alpha-Trichlorotoluene, 98%

CAS: 98-07-7 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000786 InChI Key: XEMRAKSQROQPBR-UHFFFAOYSA-N Synonym: benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane PubChem CID: 7367 ChEBI: CHEBI:82274 IUPAC Name: trichloromethylbenzene SMILES: ClC(Cl)(Cl)C1=CC=CC=C1

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PubChem CID	7367
CAS	98-07-7
Molecular Weight (g/mol)	195.47
ChEBI	CHEBI:82274
MDL Number	MFCD00000786
SMILES	ClC(Cl)(Cl)C1=CC=CC=C1
Synonym	benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane
IUPAC Name	trichloromethylbenzene
InChI Key	XEMRAKSQROQPBR-UHFFFAOYSA-N
Molecular Formula	C7H5Cl3

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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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

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Tetrachloroethylene, 99%

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 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
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

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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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

Trichloroacetonitrile, 98%

CAS: 545-06-2 Molecular Formula: C2Cl3N Molecular Weight (g/mol): 144.379 MDL Number: MFCD00001842 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)	144.379
ChEBI	CHEBI:82541
MDL Number	MFCD00001842
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

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

1-Chlorobutane, HPLC Grade, 99.5+%

CAS: 109-69-3 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00001009 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
MDL Number	MFCD00001009
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

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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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

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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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

Trichloromethyl chloroformate, 98%

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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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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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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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

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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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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

1,3-Dichloropropane, 95%

CAS: 142-28-9 Molecular Formula: C3H6Cl2 Molecular Weight (g/mol): 112.981 MDL Number: MFCD00000999 InChI Key: YHRUOJUYPBUZOS-UHFFFAOYSA-N Synonym: trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan PubChem CID: 8881 IUPAC Name: 1,3-dichloropropane SMILES: C(CCl)CCl

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PubChem CID	8881
CAS	142-28-9
Molecular Weight (g/mol)	112.981
MDL Number	MFCD00000999
SMILES	C(CCl)CCl
Synonym	trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan
IUPAC Name	1,3-dichloropropane
InChI Key	YHRUOJUYPBUZOS-UHFFFAOYSA-N
Molecular Formula	C3H6Cl2

3-Chloro-2-methylpropene, 98%

CAS: 563-47-3 Molecular Formula: C4H7Cl Molecular Weight (g/mol): 90.55 MDL Number: MFCD00000953 InChI Key: OHXAOPZTJOUYKM-UHFFFAOYSA-N Synonym: 3-chloro-2-methylpropene,methallyl chloride,3-chloro-2-methyl-1-propene,1-propene, 3-chloro-2-methyl,2-methylallyl chloride,isobutenyl chloride,2-methyl-2-propenyl chloride,beta-methallyl chloride,propene, 3-chloro-2-methyl,cloruro di metallile PubChem CID: 11241 ChEBI: CHEBI:82419 IUPAC Name: 3-chloro-2-methylprop-1-ene SMILES: CC(=C)CCl

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PubChem CID	11241
CAS	563-47-3
Molecular Weight (g/mol)	90.55
ChEBI	CHEBI:82419
MDL Number	MFCD00000953
SMILES	CC(=C)CCl
Synonym	3-chloro-2-methylpropene,methallyl chloride,3-chloro-2-methyl-1-propene,1-propene, 3-chloro-2-methyl,2-methylallyl chloride,isobutenyl chloride,2-methyl-2-propenyl chloride,beta-methallyl chloride,propene, 3-chloro-2-methyl,cloruro di metallile
IUPAC Name	3-chloro-2-methylprop-1-ene
InChI Key	OHXAOPZTJOUYKM-UHFFFAOYSA-N
Molecular Formula	C4H7Cl

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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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

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