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

Chloromethyl chloroformate, 97%

CAS: 22128-62-7 Molecular Formula: C2H2Cl2O2 Molecular Weight (g/mol): 128.936 MDL Number: MFCD00077688 InChI Key: JYWJULGYGOLCGW-UHFFFAOYSA-N Synonym: chloromethyl chloroformate,chloromethylchloroformate,chloroformic acid chloromethyl ester,carbonochloridic acid, chloromethyl ester,palite,chlormethylchlorformiat,clco2ch2cl,chlormethylchlorocarbonat,chloromethyl choroformate,choromethyl chloroformate PubChem CID: 62754 IUPAC Name: chloromethyl carbonochloridate SMILES: C(OC(=O)Cl)Cl

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PubChem CID	62754
CAS	22128-62-7
Molecular Weight (g/mol)	128.936
MDL Number	MFCD00077688
SMILES	C(OC(=O)Cl)Cl
Synonym	chloromethyl chloroformate,chloromethylchloroformate,chloroformic acid chloromethyl ester,carbonochloridic acid, chloromethyl ester,palite,chlormethylchlorformiat,clco2ch2cl,chlormethylchlorocarbonat,chloromethyl choroformate,choromethyl chloroformate
IUPAC Name	chloromethyl carbonochloridate
InChI Key	JYWJULGYGOLCGW-UHFFFAOYSA-N
Molecular Formula	C2H2Cl2O2

1-Chlorohexadecane, 97%

CAS: 4860-03-1 MDL Number: MFCD00000959

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CAS	4860-03-1
MDL Number	MFCD00000959

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

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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Specifications

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

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

1-Chlorobutane, 99+%

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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Specifications

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

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

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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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

(3-Chloropropyl)benzene, 98%

CAS: 104-52-9 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.637 MDL Number: MFCD00001001 InChI Key: XZBXAYCCBFTQHH-UHFFFAOYSA-N Synonym: 3-chloropropyl benzene,1-chloro-3-phenylpropane,3-phenylpropyl chloride,benzene, 3-chloropropyl,3-phenyl-1-chloropropane,3-chloro-1-phenylpropane,.gamma.-chloropropylbenzene,benzene, chloropropyl,.gamma.-phenylpropyl chloride,3-penylpropylchloride PubChem CID: 7706 IUPAC Name: 3-chloropropylbenzene SMILES: C1=CC=C(C=C1)CCCCl

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PubChem CID	7706
CAS	104-52-9
Molecular Weight (g/mol)	154.637
MDL Number	MFCD00001001
SMILES	C1=CC=C(C=C1)CCCCl
Synonym	3-chloropropyl benzene,1-chloro-3-phenylpropane,3-phenylpropyl chloride,benzene, 3-chloropropyl,3-phenyl-1-chloropropane,3-chloro-1-phenylpropane,.gamma.-chloropropylbenzene,benzene, chloropropyl,.gamma.-phenylpropyl chloride,3-penylpropylchloride
IUPAC Name	3-chloropropylbenzene
InChI Key	XZBXAYCCBFTQHH-UHFFFAOYSA-N
Molecular Formula	C9H11Cl

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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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

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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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

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

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

Organochlorides

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