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

2-Chloro-2-methylnonane, 90+%

CAS: 4325-50-2 Molecular Formula: C10H21Cl Molecular Weight (g/mol): 176.728 MDL Number: MFCD00060781 InChI Key: QDJXQCKHBZEIJM-UHFFFAOYSA-N Synonym: dimethyloctyl chloride,acmc-20ao0l,2-chloro-2-methyl-nonane,nonane,2-chloro-2-methyl PubChem CID: 138189 IUPAC Name: 2-chloro-2-methylnonane SMILES: CCCCCCCC(C)(C)Cl

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Specifications

PubChem CID	138189
CAS	4325-50-2
Molecular Weight (g/mol)	176.728
MDL Number	MFCD00060781
SMILES	CCCCCCCC(C)(C)Cl
Synonym	dimethyloctyl chloride,acmc-20ao0l,2-chloro-2-methyl-nonane,nonane,2-chloro-2-methyl
IUPAC Name	2-chloro-2-methylnonane
InChI Key	QDJXQCKHBZEIJM-UHFFFAOYSA-N
Molecular Formula	C10H21Cl

4-Chlorobutyronitrile, 97%

CAS: 628-20-6 Molecular Formula: C4H6ClN Molecular Weight (g/mol): 103.55 MDL Number: MFCD00001972 InChI Key: ZFCFBWSVQWGOJJ-UHFFFAOYSA-N Synonym: 4-chlorobutyronitrile,butanenitrile, 4-chloro,butyronitrile, 4-chloro,gamma-chlorobutyronitrile,1-chloro-3-cyanopropane,4-chloro-butyronitrile,.gamma.-chlorobutyronitrile,4chlorobutyronitrile,4-chlorobutyroonitrile,4-chloro-butanenitrile PubChem CID: 12336 IUPAC Name: 4-chlorobutanenitrile SMILES: ClCCCC#N

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PubChem CID	12336
CAS	628-20-6
Molecular Weight (g/mol)	103.55
MDL Number	MFCD00001972
SMILES	ClCCCC#N
Synonym	4-chlorobutyronitrile,butanenitrile, 4-chloro,butyronitrile, 4-chloro,gamma-chlorobutyronitrile,1-chloro-3-cyanopropane,4-chloro-butyronitrile,.gamma.-chlorobutyronitrile,4chlorobutyronitrile,4-chlorobutyroonitrile,4-chloro-butanenitrile
IUPAC Name	4-chlorobutanenitrile
InChI Key	ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
Molecular Formula	C4H6ClN

cis-1,4-Dichloro-2-butene, 95%

CAS: 1476-11-5 Molecular Formula: C₄H₆Cl₂ Molecular Weight (g/mol): 125 InChI Key: FQDIANVAWVHZIR-UPHRSURJSA-N Synonym: cis-1,4-dichloro-2-butene,z-1,4-dichlorobut-2-ene,1,4-dichloro-cis-2-butene,2-butene, 1,4-dichloro-, z,cis-1,4-dichlorobut-2-ene,unii-bqs2752i90,ccris 2651,cis 1,4-dichlorobutene,2-butene, 1,4-dichloro-, cis,cis-2,3-dichlorobut-2-ene PubChem CID: 6432115 IUPAC Name: (Z)-1,4-dichlorobut-2-ene SMILES: C(C=CCCl)Cl

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PubChem CID	6432115
CAS	1476-11-5
Molecular Weight (g/mol)	125
SMILES	C(C=CCCl)Cl
Synonym	cis-1,4-dichloro-2-butene,z-1,4-dichlorobut-2-ene,1,4-dichloro-cis-2-butene,2-butene, 1,4-dichloro-, z,cis-1,4-dichlorobut-2-ene,unii-bqs2752i90,ccris 2651,cis 1,4-dichlorobutene,2-butene, 1,4-dichloro-, cis,cis-2,3-dichlorobut-2-ene
IUPAC Name	(Z)-1,4-dichlorobut-2-ene
InChI Key	FQDIANVAWVHZIR-UPHRSURJSA-N
Molecular Formula	C₄H₆Cl₂

Ethyl chloroformate, 99%, Thermo Scientific Chemicals

CAS: 541-41-3 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
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

Chloromethyl butyrate, 99%

CAS: 33657-49-7 Molecular Formula: C₅H₉ClO₂ Molecular Weight (g/mol): 136.58 MDL Number: MFCD00216961 InChI Key: BDPZFQLKFUONAG-UHFFFAOYSA-N Synonym: chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester PubChem CID: 2725008 IUPAC Name: chloromethyl butanoate SMILES: CCCC(=O)OCCl

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Specifications

PubChem CID	2725008
CAS	33657-49-7
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00216961
SMILES	CCCC(=O)OCCl
Synonym	chloromethyl butyrate,chloromethylbutyrate,butyric acid chloromethyl ester,butanoic acid, chloromethyl ester,chloromethyl n-butanoate,butyryloxymethyl chloride,acmc-1agry,ksc492g7j,butanoic acid,chloromethyl ester,n-butanoic acid chloromethyl ester
IUPAC Name	chloromethyl butanoate
InChI Key	BDPZFQLKFUONAG-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₂

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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Specifications

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

1-Chloro-3-methyl-2-butene, 95%, stab. with potassium carbonate

CAS: 503-60-6 Molecular Formula: C5H9Cl Molecular Weight (g/mol): 104.577 MDL Number: MFCD00000982 InChI Key: JKXQKGNGJVZKFA-UHFFFAOYSA-N Synonym: 1-chloro-3-methyl-2-butene,prenyl chloride,2-butene, 1-chloro-3-methyl,3,3-dimethylallyl chloride,3-methyl-2-butenyl chloride,3-methylcrotyl chloride,unii-kmt7v9llbr,gamma,gamma-dimethylallyl chloride,kmt7v9llbr,.gamma.,.gamma.-dimethylallyl chloride PubChem CID: 10429 IUPAC Name: 1-chloro-3-methylbut-2-ene SMILES: CC(=CCCl)C

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Specifications

PubChem CID	10429
CAS	503-60-6
Molecular Weight (g/mol)	104.577
MDL Number	MFCD00000982
SMILES	CC(=CCCl)C
Synonym	1-chloro-3-methyl-2-butene,prenyl chloride,2-butene, 1-chloro-3-methyl,3,3-dimethylallyl chloride,3-methyl-2-butenyl chloride,3-methylcrotyl chloride,unii-kmt7v9llbr,gamma,gamma-dimethylallyl chloride,kmt7v9llbr,.gamma.,.gamma.-dimethylallyl chloride
IUPAC Name	1-chloro-3-methylbut-2-ene
InChI Key	JKXQKGNGJVZKFA-UHFFFAOYSA-N
Molecular Formula	C5H9Cl

1-Chlorooctane, 99%

CAS: 111-85-3 Molecular Formula: C8H17Cl Molecular Weight (g/mol): 148.674 MDL Number: MFCD00001022 InChI Key: CNDHHGUSRIZDSL-UHFFFAOYSA-N Synonym: n-octyl chloride,octyl chloride,octane, 1-chloro,capryl chloride,chlorooctane,octane, chloro,1-octyl chloride,dsstox_cid_1543,dsstox_rid_76201,dsstox_gsid_21543 PubChem CID: 8142 IUPAC Name: 1-chlorooctane SMILES: CCCCCCCCCl

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Specifications

PubChem CID	8142
CAS	111-85-3
Molecular Weight (g/mol)	148.674
MDL Number	MFCD00001022
SMILES	CCCCCCCCCl
Synonym	n-octyl chloride,octyl chloride,octane, 1-chloro,capryl chloride,chlorooctane,octane, chloro,1-octyl chloride,dsstox_cid_1543,dsstox_rid_76201,dsstox_gsid_21543
IUPAC Name	1-chlorooctane
InChI Key	CNDHHGUSRIZDSL-UHFFFAOYSA-N
Molecular Formula	C8H17Cl

Trichloroethylene, 99.6%, ACS reagent, stabilized

CAS: 79-01-6 Molecular Formula: C₂HCl₃ Molecular Weight (g/mol): 131.39 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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Specifications

PubChem CID	6575
CAS	79-01-6
Molecular Weight (g/mol)	131.39
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

1,4-Dichlorobutane, 97%

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

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-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

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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Specifications

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

2-(Chloromethyl)benzothiazole, 95%

CAS: 37859-43-1 Molecular Formula: C8H6ClNS Molecular Weight (g/mol): 183.65 MDL Number: MFCD05664944 InChI Key: SERUZNHRWBXDOX-UHFFFAOYSA-N Synonym: 2-chloromethyl-1,3-benzothiazole,2-chloromethyl benzothiazole,2-chloromethyl benzo d thiazole,benzothiazole, 2-chloromethyl,2-chloromethylbenzothiazole,2-chloromethyl-benzothiazole,2-chloromethylbenzthiazole,acmc-1ag8v,ksc776s1l,2-chloromethylbenzo d thiazole PubChem CID: 304978 IUPAC Name: 2-(chloromethyl)-1,3-benzothiazole SMILES: ClCC1=NC2=CC=CC=C2S1

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Specifications

PubChem CID	304978
CAS	37859-43-1
Molecular Weight (g/mol)	183.65
MDL Number	MFCD05664944
SMILES	ClCC1=NC2=CC=CC=C2S1
Synonym	2-chloromethyl-1,3-benzothiazole,2-chloromethyl benzothiazole,2-chloromethyl benzo d thiazole,benzothiazole, 2-chloromethyl,2-chloromethylbenzothiazole,2-chloromethyl-benzothiazole,2-chloromethylbenzthiazole,acmc-1ag8v,ksc776s1l,2-chloromethylbenzo d thiazole
IUPAC Name	2-(chloromethyl)-1,3-benzothiazole
InChI Key	SERUZNHRWBXDOX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNS

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