Organochlorides

Organic compounds that contain one or more chlorine atoms.

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Ethyl 3-chloropropionate, 98%

CAS: 623-71-2 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000989 InChI Key: ZCLGVXACCAZJOX-UHFFFAOYSA-N Synonym: ethyl 3-chloropropionate,3-chloropropionic acid ethyl ester,propanoic acid, 3-chloro-, ethyl ester,ethyl beta-chloropropionate,propionic acid, 3-chloro-, ethyl ester,ethyl .beta.-chloropropionate,3-chloropropionicacidethylester,3-chloro-propanoicacidethylester,ethyl-3-chlorpropanoat,ethyl3-chloropropionate PubChem CID: 69341 IUPAC Name: ethyl 3-chloropropanoate SMILES: CCOC(=O)CCCl

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PubChem CID	69341
CAS	623-71-2
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00000989
SMILES	CCOC(=O)CCCl
Synonym	ethyl 3-chloropropionate,3-chloropropionic acid ethyl ester,propanoic acid, 3-chloro-, ethyl ester,ethyl beta-chloropropionate,propionic acid, 3-chloro-, ethyl ester,ethyl .beta.-chloropropionate,3-chloropropionicacidethylester,3-chloro-propanoicacidethylester,ethyl-3-chlorpropanoat,ethyl3-chloropropionate
IUPAC Name	ethyl 3-chloropropanoate
InChI Key	ZCLGVXACCAZJOX-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

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

Ethyl chloroformate, 97%

CAS: 541-41-3 InChI Key: RIFGWPKJUGCATF-UHFFFAOYSA-N Synonym: ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato PubChem CID: 10928 IUPAC Name: ethyl carbonochloridate SMILES: CCOC(=O)Cl

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PubChem CID	10928
CAS	541-41-3
SMILES	CCOC(=O)Cl
Synonym	ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato
IUPAC Name	ethyl carbonochloridate
InChI Key	RIFGWPKJUGCATF-UHFFFAOYSA-N

Ethyl chloroformate, 99%, AcroSeal™

CAS: 541-41-3 Molecular Formula: C₃H₅ClO₂ Molecular Weight (g/mol): 108.52 MDL Number: MFCD00000644 InChI Key: RIFGWPKJUGCATF-UHFFFAOYSA-N Synonym: ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato PubChem CID: 10928 IUPAC Name: ethyl carbonochloridate SMILES: CCOC(=O)Cl

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PubChem CID	10928
CAS	541-41-3
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00000644
SMILES	CCOC(=O)Cl
Synonym	ethyl chloroformate,ethyl chlorocarbonate,cathyl chloride,ethoxycarbonyl chloride,chloroformic acid ethyl ester,ethylchloroformate,carbonochloridic acid, ethyl ester,chloro ethoxy methanone,ethylchloorformiaat,etil cloroformiato
IUPAC Name	ethyl carbonochloridate
InChI Key	RIFGWPKJUGCATF-UHFFFAOYSA-N
Molecular Formula	C₃H₅ClO₂

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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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

5-(Chloromethyl)-2-phenylpyrimidine, 97%, Thermo Scientific™

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Chlorocyclopentane, 99%

CAS: 930-28-9 Molecular Formula: C5H9Cl Molecular Weight (g/mol): 104.577 MDL Number: MFCD00001360 InChI Key: NDTCXABJQNJPCF-UHFFFAOYSA-N Synonym: cyclopentane, chloro,cyclopentyl chloride,chloroclopentane,cyclopentylchloride,unii-to3f41cl9a,1-chlorocyclopentane,to3f41cl9a,cyclopentylchlorid,chloro-cyclopentan,chlorocyclopenetane PubChem CID: 70252 IUPAC Name: chlorocyclopentane SMILES: C1CCC(C1)Cl

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PubChem CID	70252
CAS	930-28-9
Molecular Weight (g/mol)	104.577
MDL Number	MFCD00001360
SMILES	C1CCC(C1)Cl
Synonym	cyclopentane, chloro,cyclopentyl chloride,chloroclopentane,cyclopentylchloride,unii-to3f41cl9a,1-chlorocyclopentane,to3f41cl9a,cyclopentylchlorid,chloro-cyclopentan,chlorocyclopenetane
IUPAC Name	chlorocyclopentane
InChI Key	NDTCXABJQNJPCF-UHFFFAOYSA-N
Molecular Formula	C5H9Cl

2-chloroethylamine hydrochloride, 98%

CAS: 870-24-6 Molecular Formula: C2H7Cl2N Molecular Weight (g/mol): 115.99 MDL Number: MFCD00012887,MFCD00137399 InChI Key: ONRREFWJTRBDRA-UHFFFAOYSA-N Synonym: 2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl PubChem CID: 9793737 SMILES: [Cl-].[NH3+]CCCl

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PubChem CID	9793737
CAS	870-24-6
Molecular Weight (g/mol)	115.99
MDL Number	MFCD00012887,MFCD00137399
SMILES	[Cl-].[NH3+]CCCl
Synonym	2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl
InChI Key	ONRREFWJTRBDRA-UHFFFAOYSA-N
Molecular Formula	C2H7Cl2N

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

tert-Butyl 2,2,2-trichloroacetimidate, 95%

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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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

Ethyl 4-chlorobutyrate, 98%

CAS: 3153-36-4 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00001004 InChI Key: OPXNFHAILOHHFO-UHFFFAOYSA-N Synonym: ethyl 4-chlorobutyrate,butanoic acid, 4-chloro-, ethyl ester,ethyl gamma-chlorobutyrate,ethyl-4-chlorobutyrate,4-chloro-butyric acid ethyl ester,butyric acid, 4-chloro-, ethyl ester,ethyl .gamma.-chlorobutyrate,4-chlorobutyric acid ethyl ester,ethyl 4chlorobutyrate,acmc-1cqjw PubChem CID: 18474 IUPAC Name: ethyl 4-chlorobutanoate SMILES: CCOC(=O)CCCCl

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PubChem CID	18474
CAS	3153-36-4
Molecular Weight (g/mol)	150.602
MDL Number	MFCD00001004
SMILES	CCOC(=O)CCCCl
Synonym	ethyl 4-chlorobutyrate,butanoic acid, 4-chloro-, ethyl ester,ethyl gamma-chlorobutyrate,ethyl-4-chlorobutyrate,4-chloro-butyric acid ethyl ester,butyric acid, 4-chloro-, ethyl ester,ethyl .gamma.-chlorobutyrate,4-chlorobutyric acid ethyl ester,ethyl 4chlorobutyrate,acmc-1cqjw
IUPAC Name	ethyl 4-chlorobutanoate
InChI Key	OPXNFHAILOHHFO-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

6-(chloromethyl)benzothiazole, 97%, Thermo Scientific™

CAS: 149440-49-3 Molecular Formula: C₈H₆ClNS Molecular Weight (g/mol): 183.66 InChI Key: WVJSICZOZHJCLJ-UHFFFAOYSA-N Synonym: 6-chloromethyl benzo d thiazole,6-chloromethyl benzothiazole,benzothiazole, 6-chloromethyl,6-chloromethyl-1,3-benzothiazole,acmc-20n5pd,6-chloromethylbenzothiazole PubChem CID: 22905771 IUPAC Name: 6-(chloromethyl)-1,3-benzothiazole SMILES: C1=CC2=C(C=C1CCl)SC=N2

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PubChem CID	22905771
CAS	149440-49-3
Molecular Weight (g/mol)	183.66
SMILES	C1=CC2=C(C=C1CCl)SC=N2
Synonym	6-chloromethyl benzo d thiazole,6-chloromethyl benzothiazole,benzothiazole, 6-chloromethyl,6-chloromethyl-1,3-benzothiazole,acmc-20n5pd,6-chloromethylbenzothiazole
IUPAC Name	6-(chloromethyl)-1,3-benzothiazole
InChI Key	WVJSICZOZHJCLJ-UHFFFAOYSA-N
Molecular Formula	C₈H₆ClNS

1-Chlorooctadecane, 94%

CAS: 3386-33-2 Molecular Formula: C18H37Cl Molecular Weight (g/mol): 288.94 MDL Number: MFCD00000960 InChI Key: VUQPJRPDRDVQMN-UHFFFAOYSA-N Synonym: octadecyl chloride,octadecane, 1-chloro,n-octadecyl chloride,1-chloroctadecane,chlorooctadecane,octadecane, chloro,unii-73h8vd533i,1-chloranyloctadecane,stearylchloride,acmc-1cnf6 PubChem CID: 18815 IUPAC Name: 1-chlorooctadecane SMILES: CCCCCCCCCCCCCCCCCCCl

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PubChem CID	18815
CAS	3386-33-2
Molecular Weight (g/mol)	288.94
MDL Number	MFCD00000960
SMILES	CCCCCCCCCCCCCCCCCCCl
Synonym	octadecyl chloride,octadecane, 1-chloro,n-octadecyl chloride,1-chloroctadecane,chlorooctadecane,octadecane, chloro,unii-73h8vd533i,1-chloranyloctadecane,stearylchloride,acmc-1cnf6
IUPAC Name	1-chlorooctadecane
InChI Key	VUQPJRPDRDVQMN-UHFFFAOYSA-N
Molecular Formula	C18H37Cl

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

1,3-Dichloropropane, 95%

CAS: 142-28-9 Molecular Formula: C3H6Cl2 Molecular Weight (g/mol): 112.981 MDL Number: MFCD00000999 InChI Key: YHRUOJUYPBUZOS-UHFFFAOYSA-N Synonym: trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan PubChem CID: 8881 IUPAC Name: 1,3-dichloropropane SMILES: C(CCl)CCl

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PubChem CID	8881
CAS	142-28-9
Molecular Weight (g/mol)	112.981
MDL Number	MFCD00000999
SMILES	C(CCl)CCl
Synonym	trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan
IUPAC Name	1,3-dichloropropane
InChI Key	YHRUOJUYPBUZOS-UHFFFAOYSA-N
Molecular Formula	C3H6Cl2

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