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

1,1,2,2-Tetrachloroethane, 98.5%, Thermo Scientific Chemicals

CAS: 79-34-5 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
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

Isobutyl chloroformate, 98%, Thermo Scientific Chemicals

CAS: 543-27-1 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.575 MDL Number: MFCD00000642 InChI Key: YOETUEMZNOLGDB-UHFFFAOYSA-N Synonym: isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob PubChem CID: 62365 IUPAC Name: 2-methylpropyl carbonochloridate SMILES: CC(C)COC(=O)Cl

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PubChem CID	62365
CAS	543-27-1
Molecular Weight (g/mol)	136.575
MDL Number	MFCD00000642
SMILES	CC(C)COC(=O)Cl
Synonym	isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob
IUPAC Name	2-methylpropyl carbonochloridate
InChI Key	YOETUEMZNOLGDB-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

1,2-Dibromo-1,1,2-trichloroethane, 99%, Thermo Scientific™

CAS: 13749-38-7 Molecular Formula: C₂HBr₂Cl₃ Molecular Weight (g/mol): 291.2 MDL Number: MFCD00018841 InChI Key: VXKOVUFOVCJHBA-UHFFFAOYSA-N Synonym: ethane,1,2-dibromo-1,1,2-trichloro,acmc-20ap6p,1,2-dibromotrichloro ethane PubChem CID: 114562 IUPAC Name: 1,2-dibromo-1,1,2-trichloroethane SMILES: C(C(Cl)(Cl)Br)(Cl)Br

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PubChem CID	114562
CAS	13749-38-7
Molecular Weight (g/mol)	291.2
MDL Number	MFCD00018841
SMILES	C(C(Cl)(Cl)Br)(Cl)Br
Synonym	ethane,1,2-dibromo-1,1,2-trichloro,acmc-20ap6p,1,2-dibromotrichloro ethane
IUPAC Name	1,2-dibromo-1,1,2-trichloroethane
InChI Key	VXKOVUFOVCJHBA-UHFFFAOYSA-N
Molecular Formula	C₂HBr₂Cl₃

Benzotrichloride, 98%, Thermo Scientific Chemicals

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

1-(Chloromethyl)naphthalene, 95%, Thermo Scientific Chemicals

CAS: 86-52-2 Molecular Formula: C₁₁H₉Cl Molecular Weight (g/mol): 176.65 MDL Number: MFCD00004042 InChI Key: XMWGTKZEDLCVIG-UHFFFAOYSA-N Synonym: 1-chloromethyl naphthalene,naphthalene, 1-chloromethyl,1-naphthylmethyl chloride,1-menaphthyl chloride,1-chlormethyl naftalen,chloromethyl naphthalene,1-chloro methylnaphthalene,alpha-naphthylmethyl chloride PubChem CID: 6845 IUPAC Name: 1-(chloromethyl)naphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2CCl

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Specifications

PubChem CID	6845
CAS	86-52-2
Molecular Weight (g/mol)	176.65
MDL Number	MFCD00004042
SMILES	C1=CC=C2C(=C1)C=CC=C2CCl
Synonym	1-chloromethyl naphthalene,naphthalene, 1-chloromethyl,1-naphthylmethyl chloride,1-menaphthyl chloride,1-chlormethyl naftalen,chloromethyl naphthalene,1-chloro methylnaphthalene,alpha-naphthylmethyl chloride
IUPAC Name	1-(chloromethyl)naphthalene
InChI Key	XMWGTKZEDLCVIG-UHFFFAOYSA-N
Molecular Formula	C₁₁H₉Cl

1,4-Dichlorobutane, 99%, Thermo Scientific Chemicals

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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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

2-Chloroethyl Laurate 95.0+%, TCI America™

CAS: 64919-15-9 Molecular Formula: C14H27ClO2 Molecular Weight (g/mol): 262.82 MDL Number: MFCD00059475 InChI Key: PPRUSMUBWUQYRY-UHFFFAOYSA-N Synonym: Lauric Acid 2-Chloroethyl Ester PubChem CID: 47496 IUPAC Name: 2-chloroethyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCl

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PubChem CID	47496
CAS	64919-15-9
Molecular Weight (g/mol)	262.82
MDL Number	MFCD00059475
SMILES	CCCCCCCCCCCC(=O)OCCCl
Synonym	Lauric Acid 2-Chloroethyl Ester
IUPAC Name	2-chloroethyl dodecanoate
InChI Key	PPRUSMUBWUQYRY-UHFFFAOYSA-N
Molecular Formula	C14H27ClO2

1,1,2,2-Tetrachloroethane, BAKER™, J.T. Baker™

CAS: 79-34-5 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 167.838 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
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

1,1,2,2-Tetrachloroethane, MilliporeSigma™

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Specifications

PubChem CID	6591
CAS	79-34-5
Molecular Weight (g/mol)	167.838
ChEBI	CHEBI:36026
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-Chlorobutane, MilliporeSigma™

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

Chloroform, ≥99.5%, Honeywell™

CAS: 67-66-3 Molecular Formula: CHCl3 Molecular Weight (g/mol): 119.37 MDL Number: MFCD00000826 InChI Key: HEDRZPFGACZZDS-UHFFFAOYSA-N Synonym: trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio PubChem CID: 6212 ChEBI: CHEBI:35255 SMILES: ClC(Cl)Cl

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Specifications

PubChem CID	6212
CAS	67-66-3
Molecular Weight (g/mol)	119.37
ChEBI	CHEBI:35255
MDL Number	MFCD00000826
SMILES	ClC(Cl)Cl
Synonym	trichloromethane,formyl trichloride,methane, trichloro,trichloroform,methane trichloride,methenyl trichloride,methyl trichloride,trichlormethan,chloroforme,cloroformio
InChI Key	HEDRZPFGACZZDS-UHFFFAOYSA-N
Molecular Formula	CHCl3

3-Chloro-3-methylhexane, 97%, Thermo Scientific™

CAS: 43197-78-0 Molecular Formula: C7H15Cl Molecular Weight (g/mol): 134.65 MDL Number: MFCD00060778 InChI Key: UTKDCNDVTOWUHW-UHFFFAOYNA-N Synonym: hexane, 3-chloro-3-methyl,acmc-20an6z,3-chlor-3-methyl-hexan,hexane,3-chloro-3-methyl PubChem CID: 142659 IUPAC Name: 3-chloro-3-methylhexane SMILES: CCCC(C)(Cl)CC

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Specifications

PubChem CID	142659
CAS	43197-78-0
Molecular Weight (g/mol)	134.65
MDL Number	MFCD00060778
SMILES	CCCC(C)(Cl)CC
Synonym	hexane, 3-chloro-3-methyl,acmc-20an6z,3-chlor-3-methyl-hexan,hexane,3-chloro-3-methyl
IUPAC Name	3-chloro-3-methylhexane
InChI Key	UTKDCNDVTOWUHW-UHFFFAOYNA-N
Molecular Formula	C7H15Cl

3-Chloro-2-methylpropene, 98%, Thermo Scientific Chemicals

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

tert-Butyl 2,2,2-trichloroacetimidate, 97%, Thermo Scientific Chemicals

CAS: 98946-18-0 Molecular Formula: C6H10Cl3NO Molecular Weight (g/mol): 218.50 MDL Number: MFCD00077410 InChI Key: CQXDYHPBXDZWBA-UHFFFAOYSA-N Synonym: tert-butyl 2,2,2-trichloroacetimidate,tert-butyl trichloroacetimidate,tert-butyl-2,2,2-trichloroacetimidate,tert-butyl 2,2,2-trichloroethanecarboximidate,2,2,2-trichloroacetimidic acid tert-butyl ester,t-butyl trichloroacetimidate,t-butyl 2,2,2-trichloroacetimidate,tert-butyl2,2,2-trichloroacetimidate,ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester,1-tert-butoxy-2,2,2-trichloroethanimine PubChem CID: 2734700 IUPAC Name: tert-butyl 2,2,2-trichloroethanimidate SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl

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Specifications

PubChem CID	2734700
CAS	98946-18-0
Molecular Weight (g/mol)	218.50
MDL Number	MFCD00077410
SMILES	CC(C)(C)OC(=N)C(Cl)(Cl)Cl
Synonym	tert-butyl 2,2,2-trichloroacetimidate,tert-butyl trichloroacetimidate,tert-butyl-2,2,2-trichloroacetimidate,tert-butyl 2,2,2-trichloroethanecarboximidate,2,2,2-trichloroacetimidic acid tert-butyl ester,t-butyl trichloroacetimidate,t-butyl 2,2,2-trichloroacetimidate,tert-butyl2,2,2-trichloroacetimidate,ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester,1-tert-butoxy-2,2,2-trichloroethanimine
IUPAC Name	tert-butyl 2,2,2-trichloroethanimidate
InChI Key	CQXDYHPBXDZWBA-UHFFFAOYSA-N
Molecular Formula	C6H10Cl3NO

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Organochlorides

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