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

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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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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

Tetrachloroethylene, Ultrapure, Spectrophotometric Grade, 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 IUPAC Name: 1,1,2,2-tetrachloroethene 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
IUPAC Name	1,1,2,2-tetrachloroethene
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

Trichloroethylene, 98%

CAS: 79-01-6 Molecular Formula: C2HCl3 Molecular Weight (g/mol): 131.38 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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PubChem CID	6575
CAS	79-01-6
Molecular Weight (g/mol)	131.38
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

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

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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

PubChem CID	6575
CAS	79-01-6
Molecular Weight (g/mol)	131.38
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

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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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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

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(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

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1-Bromo-6-chlorohexane, 97%

CAS: 6294-17-3 Molecular Formula: C6H12BrCl Molecular Weight (g/mol): 199.52 MDL Number: MFCD00001019 InChI Key: JTYUIAOHIYZBPB-UHFFFAOYSA-N Synonym: 6-chlorohexyl bromide,hexane, 1-bromo-6-chloro,1-chloro-6-bromohexane,hexyl bromide, 6-chloro,6-bromohexyl chloride,1-bromo-6-chloro hexane,1-bromo-6-chloro-hexane,acmc-1b9m0,1-bromo-6-chlorohexane,jtyuiaohiyzbpb-uhfffaoysa PubChem CID: 80516 IUPAC Name: 1-bromo-6-chlorohexane SMILES: ClCCCCCCBr

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PubChem CID	80516
CAS	6294-17-3
Molecular Weight (g/mol)	199.52
MDL Number	MFCD00001019
SMILES	ClCCCCCCBr
Synonym	6-chlorohexyl bromide,hexane, 1-bromo-6-chloro,1-chloro-6-bromohexane,hexyl bromide, 6-chloro,6-bromohexyl chloride,1-bromo-6-chloro hexane,1-bromo-6-chloro-hexane,acmc-1b9m0,1-bromo-6-chlorohexane,jtyuiaohiyzbpb-uhfffaoysa
IUPAC Name	1-bromo-6-chlorohexane
InChI Key	JTYUIAOHIYZBPB-UHFFFAOYSA-N
Molecular Formula	C6H12BrCl

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1-Bromo-2-chloroethane, 98%

CAS: 107-04-0 Molecular Formula: C₂H₄BrCl Molecular Weight (g/mol): 143.41 MDL Number: MFCD00000962 InChI Key: IBYHHJPAARCAIE-UHFFFAOYSA-N Synonym: ethylene chlorobromide,2-chloroethyl bromide,1-chloro-2-bromoethane,2-bromoethyl chloride,ethane, 1-bromo-2-chloro,2-bromo-1-chloroethane,s-chlorobromoethane,1,2-bromochloroethane,beta-chloroethyl bromide,sym-chlorobromoethane PubChem CID: 7849 ChEBI: CHEBI:19032 IUPAC Name: 1-bromo-2-chloroethane SMILES: C(CBr)Cl

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PubChem CID	7849
CAS	107-04-0
Molecular Weight (g/mol)	143.41
ChEBI	CHEBI:19032
MDL Number	MFCD00000962
SMILES	C(CBr)Cl
Synonym	ethylene chlorobromide,2-chloroethyl bromide,1-chloro-2-bromoethane,2-bromoethyl chloride,ethane, 1-bromo-2-chloro,2-bromo-1-chloroethane,s-chlorobromoethane,1,2-bromochloroethane,beta-chloroethyl bromide,sym-chlorobromoethane
IUPAC Name	1-bromo-2-chloroethane
InChI Key	IBYHHJPAARCAIE-UHFFFAOYSA-N
Molecular Formula	C₂H₄BrCl

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

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1,10-Dichlorodecane, 98%

CAS: 2162-98-3 Molecular Formula: C10H20Cl2 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00000957 InChI Key: RBBNTRDPSVZESY-UHFFFAOYSA-N Synonym: decane, 1,10-dichloro,decamethylene dichloride,decane,10-dichloro,1, 10-dichlorodecane,acmc-1cbxv,ksc202q6p,1,10-dichlorodecane,1,10-decamethylene dichloride PubChem CID: 75101 IUPAC Name: 1,10-dichlorodecane SMILES: ClCCCCCCCCCCCl

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PubChem CID	75101
CAS	2162-98-3
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00000957
SMILES	ClCCCCCCCCCCCl
Synonym	decane, 1,10-dichloro,decamethylene dichloride,decane,10-dichloro,1, 10-dichlorodecane,acmc-1cbxv,ksc202q6p,1,10-dichlorodecane,1,10-decamethylene dichloride
IUPAC Name	1,10-dichlorodecane
InChI Key	RBBNTRDPSVZESY-UHFFFAOYSA-N
Molecular Formula	C10H20Cl2

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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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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

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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

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