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)cyclopropane, 97%

CAS: 5911-08-0 Molecular Formula: C4H7Cl Molecular Weight (g/mol): 90.55 MDL Number: MFCD00001307 InChI Key: ZVTQWXCKQTUVPY-UHFFFAOYSA-N Synonym: chloromethyl cyclopropane,cylopropylmethyl chloride,cyclopropylmethyl chloride,cyclopropane, chloromethyl,chloromethyl-cyclopropane,j7okqcc0kw,unii-j7okqcc0kw,cylopropylmethylchloride,chlorocyclopropylmethane,cyclopropylchloromethane PubChem CID: 80013 SMILES: ClCC1CC1

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Specifications

PubChem CID	80013
CAS	5911-08-0
Molecular Weight (g/mol)	90.55
MDL Number	MFCD00001307
SMILES	ClCC1CC1
Synonym	chloromethyl cyclopropane,cylopropylmethyl chloride,cyclopropylmethyl chloride,cyclopropane, chloromethyl,chloromethyl-cyclopropane,j7okqcc0kw,unii-j7okqcc0kw,cylopropylmethylchloride,chlorocyclopropylmethane,cyclopropylchloromethane
InChI Key	ZVTQWXCKQTUVPY-UHFFFAOYSA-N
Molecular Formula	C4H7Cl

1-Bromo-5-chloropentane, 98%

CAS: 54512-75-3 Molecular Formula: C5H10BrCl Molecular Weight (g/mol): 185.49 MDL Number: MFCD00001016 InChI Key: PHHNNDKXQVKJEP-UHFFFAOYSA-N Synonym: pentane, 1-bromo-5-chloro,5-chloropentyl bromide,5-bromopentyl chloride,1-bromo-5-chloro-pentane,1-brom-5-chlorpentan,5-chlorobromopentane,bromo-5-chloropentane,pubchem15271,bromo-5-chloro-pentane,5-bromo-1-chloropentane PubChem CID: 96070 IUPAC Name: 1-bromo-5-chloropentane SMILES: ClCCCCCBr

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PubChem CID	96070
CAS	54512-75-3
Molecular Weight (g/mol)	185.49
MDL Number	MFCD00001016
SMILES	ClCCCCCBr
Synonym	pentane, 1-bromo-5-chloro,5-chloropentyl bromide,5-bromopentyl chloride,1-bromo-5-chloro-pentane,1-brom-5-chlorpentan,5-chlorobromopentane,bromo-5-chloropentane,pubchem15271,bromo-5-chloro-pentane,5-bromo-1-chloropentane
IUPAC Name	1-bromo-5-chloropentane
InChI Key	PHHNNDKXQVKJEP-UHFFFAOYSA-N
Molecular Formula	C5H10BrCl

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

6-Chloro-1-hexene, 97%

CAS: 928-89-2 Molecular Formula: C6H11Cl Molecular Weight (g/mol): 118.604 MDL Number: MFCD00039391 InChI Key: BLMIXWDJHNJWDT-UHFFFAOYSA-N Synonym: 6-chloro-1-hexene,1-hexene, 6-chloro,5-hexenyl chloride,6-chlorohexene,chloro-1-hex,6-chloro-1-hexen,1-chloro-5-hexene,1-chlorohex-5-ene,acmc-20alz4,5-hexen-1-yl chloride PubChem CID: 70233 IUPAC Name: 6-chlorohex-1-ene SMILES: C=CCCCCCl

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Specifications

PubChem CID	70233
CAS	928-89-2
Molecular Weight (g/mol)	118.604
MDL Number	MFCD00039391
SMILES	C=CCCCCCl
Synonym	6-chloro-1-hexene,1-hexene, 6-chloro,5-hexenyl chloride,6-chlorohexene,chloro-1-hex,6-chloro-1-hexen,1-chloro-5-hexene,1-chlorohex-5-ene,acmc-20alz4,5-hexen-1-yl chloride
IUPAC Name	6-chlorohex-1-ene
InChI Key	BLMIXWDJHNJWDT-UHFFFAOYSA-N
Molecular Formula	C6H11Cl

1-Chloro-2-octyne, 98%, Thermo Scientific Chemicals

CAS: 51575-83-8 Molecular Formula: C8H13Cl Molecular Weight (g/mol): 144.642 MDL Number: MFCD00274223 InChI Key: OUMUOQQKEAGFCJ-UHFFFAOYSA-N Synonym: 1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa PubChem CID: 4349444 IUPAC Name: 1-chlorooct-2-yne SMILES: CCCCCC#CCCl

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Specifications

PubChem CID	4349444
CAS	51575-83-8
Molecular Weight (g/mol)	144.642
MDL Number	MFCD00274223
SMILES	CCCCCC#CCCl
Synonym	1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa
IUPAC Name	1-chlorooct-2-yne
InChI Key	OUMUOQQKEAGFCJ-UHFFFAOYSA-N
Molecular Formula	C8H13Cl

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-Chloropropyl acetate, 97+%

CAS: 628-09-1 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.575 MDL Number: MFCD00001000 InChI Key: KPOHQIPNNIMWRL-UHFFFAOYSA-N Synonym: 1-propanol, 3-chloro-, acetate,3-chloropropanol acetate,3-chlorprop-1-ylacetat,gamma-chloropropyl acetate,3-chlorprop-1-ylacetat german,acetic acid 3-chloro-propyl ester,1-acetoxy-3-chloropropane,.gamma.-chloropropyl acetate,3-chloro-propyl acetate,acetic acid 3-chloropropyl ester PubChem CID: 12334 IUPAC Name: 3-chloropropyl acetate SMILES: CC(=O)OCCCCl

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Specifications

PubChem CID	12334
CAS	628-09-1
Molecular Weight (g/mol)	136.575
MDL Number	MFCD00001000
SMILES	CC(=O)OCCCCl
Synonym	1-propanol, 3-chloro-, acetate,3-chloropropanol acetate,3-chlorprop-1-ylacetat,gamma-chloropropyl acetate,3-chlorprop-1-ylacetat german,acetic acid 3-chloro-propyl ester,1-acetoxy-3-chloropropane,.gamma.-chloropropyl acetate,3-chloro-propyl acetate,acetic acid 3-chloropropyl ester
IUPAC Name	3-chloropropyl acetate
InChI Key	KPOHQIPNNIMWRL-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

Tetrachloroethylene, 99+%, spectrophotometric grade

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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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
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

1,5-Dichloropentane, 98%

CAS: 628-76-2 Molecular Formula: C5H10Cl2 Molecular Weight (g/mol): 141.035 MDL Number: MFCD00001017 InChI Key: LBKDGROORAKTLC-UHFFFAOYSA-N Synonym: pentamethylene chloride,pentane, 1,5-dichloro,pentamethylene dichloride,amylene chloride,unii-6n4a5v83we,1,5-dichlorobutane,pentane,5-dichloro,acmc-1ay6s,1,5-bis chloranyl pentane,wln: g5g PubChem CID: 12353 IUPAC Name: 1,5-dichloropentane SMILES: C(CCCl)CCCl

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PubChem CID	12353
CAS	628-76-2
Molecular Weight (g/mol)	141.035
MDL Number	MFCD00001017
SMILES	C(CCCl)CCCl
Synonym	pentamethylene chloride,pentane, 1,5-dichloro,pentamethylene dichloride,amylene chloride,unii-6n4a5v83we,1,5-dichlorobutane,pentane,5-dichloro,acmc-1ay6s,1,5-bis chloranyl pentane,wln: g5g
IUPAC Name	1,5-dichloropentane
InChI Key	LBKDGROORAKTLC-UHFFFAOYSA-N
Molecular Formula	C5H10Cl2

PubChem CID	96070
CAS	54512-75-3
Molecular Weight (g/mol)	185.49
MDL Number	MFCD00001016
SMILES	ClCCCCCBr
Synonym	pentane, 1-bromo-5-chloro,5-chloropentyl bromide,5-bromopentyl chloride,1-bromo-5-chloro-pentane,1-brom-5-chlorpentan,5-chlorobromopentane,bromo-5-chloropentane,pubchem15271,bromo-5-chloro-pentane,5-bromo-1-chloropentane
IUPAC Name	1-bromo-5-chloropentane
InChI Key	PHHNNDKXQVKJEP-UHFFFAOYSA-N
Molecular Formula	C5H10BrCl

Dichloroacetonitrile, 98+%

CAS: 3018-12-0 Molecular Formula: C2HCl2N Molecular Weight (g/mol): 109.937 MDL Number: MFCD00040886 InChI Key: STZZWJCGRKXEFF-UHFFFAOYSA-N Synonym: dichloroacetonitrile,acetonitrile, dichloro,dichloromethyl cyanide,ccris 942,unii-o0l64v63m9,dichloro acetonitrile,pubchem17242,acmc-209hdn,dsstox_cid_1562 PubChem CID: 18177 ChEBI: CHEBI:82444 IUPAC Name: 2,2-dichloroacetonitrile SMILES: C(#N)C(Cl)Cl

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Specifications

PubChem CID	18177
CAS	3018-12-0
Molecular Weight (g/mol)	109.937
ChEBI	CHEBI:82444
MDL Number	MFCD00040886
SMILES	C(#N)C(Cl)Cl
Synonym	dichloroacetonitrile,acetonitrile, dichloro,dichloromethyl cyanide,ccris 942,unii-o0l64v63m9,dichloro acetonitrile,pubchem17242,acmc-209hdn,dsstox_cid_1562
IUPAC Name	2,2-dichloroacetonitrile
InChI Key	STZZWJCGRKXEFF-UHFFFAOYSA-N
Molecular Formula	C2HCl2N

1,3-Dichloro-2-butene, cis + trans, 98%, stab. with BHT

CAS: 926-57-8 Molecular Formula: C4H6Cl2 Molecular Weight (g/mol): 124.99 MDL Number: MFCD00000861 InChI Key: WLIADPFXSACYLS-DUXPYHPUSA-N Synonym: 1,3-dichlorobutylene,unii-pwg1e5mrlj,1,3-dichloro-2-butene,trans-1,3-dichlorobutene-2,1,3-dichlorobut-2-ene,pwg1e5mrlj,2-butene, 1,3-dichloro-, e,2-butene, 1,3-dichloro,e-1,3-dichloro-2-butene,1,3-dichlorobutene-2 PubChem CID: 643911 SMILES: C\C(Cl)=C/CCl

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Specifications

PubChem CID	643911
CAS	926-57-8
Molecular Weight (g/mol)	124.99
MDL Number	MFCD00000861
SMILES	C\C(Cl)=C/CCl
Synonym	1,3-dichlorobutylene,unii-pwg1e5mrlj,1,3-dichloro-2-butene,trans-1,3-dichlorobutene-2,1,3-dichlorobut-2-ene,pwg1e5mrlj,2-butene, 1,3-dichloro-, e,2-butene, 1,3-dichloro,e-1,3-dichloro-2-butene,1,3-dichlorobutene-2
InChI Key	WLIADPFXSACYLS-DUXPYHPUSA-N
Molecular Formula	C4H6Cl2

2-Chloro-2-methylpropane, 99%

CAS: 507-20-0 Molecular Formula: C₄H₉Cl Molecular Weight (g/mol): 92.57 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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Specifications

PubChem CID	10486
CAS	507-20-0
Molecular Weight (g/mol)	92.57
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

Benzyl 2,2,2-trichloroacetimidate, 98%

CAS: 81927-55-1 Molecular Formula: C9H8Cl3NO Molecular Weight (g/mol): 252.52 MDL Number: MFCD00000805 InChI Key: HUZCTWYDQIQZPM-UHFFFAOYSA-N Synonym: benzyl 2,2,2-trichloroacetimidate,benzyl trichloroacetimidate,benzyltrichloroacetimidate,trichloroacetimidic acid benzyl ester,2,2,2-trichloro-1-phenylmethoxy ethanimine,ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester,benzyl 2,2,2-trichloroethanecarboximidate,benzyl2,2,2-trichloroacetimidate,acmc-209pmn,benzyl trichloracetimidate PubChem CID: 144968 IUPAC Name: benzyl 2,2,2-trichloroethanimidate SMILES: ClC(Cl)(Cl)C(=N)OCC1=CC=CC=C1

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Specifications

PubChem CID	144968
CAS	81927-55-1
Molecular Weight (g/mol)	252.52
MDL Number	MFCD00000805
SMILES	ClC(Cl)(Cl)C(=N)OCC1=CC=CC=C1
Synonym	benzyl 2,2,2-trichloroacetimidate,benzyl trichloroacetimidate,benzyltrichloroacetimidate,trichloroacetimidic acid benzyl ester,2,2,2-trichloro-1-phenylmethoxy ethanimine,ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester,benzyl 2,2,2-trichloroethanecarboximidate,benzyl2,2,2-trichloroacetimidate,acmc-209pmn,benzyl trichloracetimidate
IUPAC Name	benzyl 2,2,2-trichloroethanimidate
InChI Key	HUZCTWYDQIQZPM-UHFFFAOYSA-N
Molecular Formula	C9H8Cl3NO

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