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

Chloromethyl chlorosulfate, 97%

CAS: 49715-04-0 MDL Number: MFCD00041547 InChI Key: PJBIHXWYDMFGCV-UHFFFAOYSA-N Synonym: chloromethyl chlorosulfate,chloromethyl chlorosulphate,chloromethylchlorosulfate,chloromethyl chlorosulfonate,chloromethyl chloranesulfonate,unii-n615783bnf,chloromethyl sulfochloridate,chlorosulfuric acid, chloromethyl ester,chloro chlorosulfonyloxy methane,chlorosulfuric acid chloromethyl ester PubChem CID: 2733556 IUPAC Name: chloro(chlorosulfonyloxy)methane SMILES: C(OS(=O)(=O)Cl)Cl

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Specifications

PubChem CID	2733556
CAS	49715-04-0
MDL Number	MFCD00041547
SMILES	C(OS(=O)(=O)Cl)Cl
Synonym	chloromethyl chlorosulfate,chloromethyl chlorosulphate,chloromethylchlorosulfate,chloromethyl chlorosulfonate,chloromethyl chloranesulfonate,unii-n615783bnf,chloromethyl sulfochloridate,chlorosulfuric acid, chloromethyl ester,chloro chlorosulfonyloxy methane,chlorosulfuric acid chloromethyl ester
IUPAC Name	chloro(chlorosulfonyloxy)methane
InChI Key	PJBIHXWYDMFGCV-UHFFFAOYSA-N

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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Specifications

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

Dimethylthiocarbamoyl chloride, 99%

CAS: 16420-13-6 Molecular Formula: C3H6ClNS Molecular Weight (g/mol): 123.60 MDL Number: MFCD00004919 InChI Key: PHWISQNXPLXQRU-UHFFFAOYSA-N Synonym: dimethylthiocarbamoyl chloride,carbamothioic chloride, dimethyl,chloromethanethioyl dimethylamine,n,n-dimethylthiocarbamoyl chloride,n,n-dimethylcarbamothioic chloride,dimethylthiocarbamoylchloride,carbamoyl chloride, dimethylthio,carbamothioic chloride, n,n-dimethyl,dimethylthiocarbamyl chloride,dimethylthiocarbamic acid chloride PubChem CID: 27871 IUPAC Name: N,N-dimethylcarbamothioyl chloride SMILES: CN(C)C(Cl)=S

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Specifications

PubChem CID	27871
CAS	16420-13-6
Molecular Weight (g/mol)	123.60
MDL Number	MFCD00004919
SMILES	CN(C)C(Cl)=S
Synonym	dimethylthiocarbamoyl chloride,carbamothioic chloride, dimethyl,chloromethanethioyl dimethylamine,n,n-dimethylthiocarbamoyl chloride,n,n-dimethylcarbamothioic chloride,dimethylthiocarbamoylchloride,carbamoyl chloride, dimethylthio,carbamothioic chloride, n,n-dimethyl,dimethylthiocarbamyl chloride,dimethylthiocarbamic acid chloride
IUPAC Name	N,N-dimethylcarbamothioyl chloride
InChI Key	PHWISQNXPLXQRU-UHFFFAOYSA-N
Molecular Formula	C3H6ClNS

Tetrachloroethylene, ≥99.5%, Solstice

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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Specifications

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

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

Lauryl chloride, 99%

CAS: 112-52-7 Molecular Formula: C12H25Cl Molecular Weight (g/mol): 204.78 MDL Number: MFCD00013688 InChI Key: YAYNEUUHHLGGAH-UHFFFAOYSA-N Synonym: lauryl chloride,dodecyl chloride,n-dodecyl chloride,dodecane, 1-chloro,laurylchloride,unii-we8o8j0utk,1-chloro-dodecane,dodecane, chloro,ccris 5810,we8o8j0utk PubChem CID: 8192 IUPAC Name: 1-chlorododecane SMILES: CCCCCCCCCCCCCl

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Specifications

PubChem CID	8192
CAS	112-52-7
Molecular Weight (g/mol)	204.78
MDL Number	MFCD00013688
SMILES	CCCCCCCCCCCCCl
Synonym	lauryl chloride,dodecyl chloride,n-dodecyl chloride,dodecane, 1-chloro,laurylchloride,unii-we8o8j0utk,1-chloro-dodecane,dodecane, chloro,ccris 5810,we8o8j0utk
IUPAC Name	1-chlorododecane
InChI Key	YAYNEUUHHLGGAH-UHFFFAOYSA-N
Molecular Formula	C12H25Cl

Neopentyl chloride, 98%

CAS: 753-89-9 Molecular Formula: C5H11Cl Molecular Weight (g/mol): 106.593 MDL Number: MFCD00000941 InChI Key: JEKYMVBQWWZVHO-UHFFFAOYSA-N PubChem CID: 12956 IUPAC Name: 1-chloro-2,2-dimethylpropane SMILES: CC(C)(C)CCl

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Specifications

PubChem CID	12956
CAS	753-89-9
Molecular Weight (g/mol)	106.593
MDL Number	MFCD00000941
SMILES	CC(C)(C)CCl
IUPAC Name	1-chloro-2,2-dimethylpropane
InChI Key	JEKYMVBQWWZVHO-UHFFFAOYSA-N
Molecular Formula	C5H11Cl

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

1,2-Dichlorobutane, 97%

CAS: 616-21-7 Molecular Formula: C4H8Cl2 Molecular Weight (g/mol): 127.01 MDL Number: MFCD00013676 InChI Key: PQBOTZNYFQWRHU-UHFFFAOYNA-N Synonym: butane, 1,2-dichloro,butane,2-dichloro,1,2-butylene chloride,acmc-1b1ry,dsstox_cid_7244,dsstox_rid_78366,dsstox_gsid_27244,1,2-dichlorobutane,pqbotznyfqwrhu-uhfffaoysa PubChem CID: 12017 IUPAC Name: 1,2-dichlorobutane SMILES: CCC(Cl)CCl

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Specifications

PubChem CID	12017
CAS	616-21-7
Molecular Weight (g/mol)	127.01
MDL Number	MFCD00013676
SMILES	CCC(Cl)CCl
Synonym	butane, 1,2-dichloro,butane,2-dichloro,1,2-butylene chloride,acmc-1b1ry,dsstox_cid_7244,dsstox_rid_78366,dsstox_gsid_27244,1,2-dichlorobutane,pqbotznyfqwrhu-uhfffaoysa
IUPAC Name	1,2-dichlorobutane
InChI Key	PQBOTZNYFQWRHU-UHFFFAOYNA-N
Molecular Formula	C4H8Cl2

11-Chloro-1-undecene, 97%

CAS: 872-17-3 Molecular Formula: C11H21Cl Molecular Weight (g/mol): 188.74 MDL Number: MFCD00671354 InChI Key: PSEVKFKRYVAODC-UHFFFAOYSA-N Synonym: 11-chloro-1-undecene,1-undecene, 11-chloro,10-undecenyl chloride,undecylenyl chloride,acmc-1bjnc,undec-10-enyl chloride,11-chloro-1-undecene # PubChem CID: 543805 IUPAC Name: 11-chloroundec-1-ene SMILES: ClCCCCCCCCCC=C

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Specifications

PubChem CID	543805
CAS	872-17-3
Molecular Weight (g/mol)	188.74
MDL Number	MFCD00671354
SMILES	ClCCCCCCCCCC=C
Synonym	11-chloro-1-undecene,1-undecene, 11-chloro,10-undecenyl chloride,undecylenyl chloride,acmc-1bjnc,undec-10-enyl chloride,11-chloro-1-undecene #
IUPAC Name	11-chloroundec-1-ene
InChI Key	PSEVKFKRYVAODC-UHFFFAOYSA-N
Molecular Formula	C11H21Cl

1-Bromo-4-chlorobutane, 99%

CAS: 6940-78-9 Molecular Formula: C₄H₈BrCl Molecular Weight (g/mol): 171.46 MDL Number: MFCD00001010 InChI Key: NIDSRGCVYOEDFW-UHFFFAOYSA-N Synonym: butane, 1-bromo-4-chloro,tetramethylene chlorobromide,4-bromo-1-chlorobutane,1-chloro-4-bromobutane,4-bromobutyl chloride,4-chlorobutyl bromide,1-brom-4-chlorbutan,4-chlorobromobutane,bromo 4 chlorobutane,bromo-4-chlorobutane PubChem CID: 81364 IUPAC Name: 1-bromo-4-chlorobutane SMILES: C(CCBr)CCl

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Specifications

PubChem CID	81364
CAS	6940-78-9
Molecular Weight (g/mol)	171.46
MDL Number	MFCD00001010
SMILES	C(CCBr)CCl
Synonym	butane, 1-bromo-4-chloro,tetramethylene chlorobromide,4-bromo-1-chlorobutane,1-chloro-4-bromobutane,4-bromobutyl chloride,4-chlorobutyl bromide,1-brom-4-chlorbutan,4-chlorobromobutane,bromo 4 chlorobutane,bromo-4-chlorobutane
IUPAC Name	1-bromo-4-chlorobutane
InChI Key	NIDSRGCVYOEDFW-UHFFFAOYSA-N
Molecular Formula	C₄H₈BrCl

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

1,4-Dichlorobutane, 99%

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

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