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

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trans-1,2-Dichloroethylene, 99+%, stabilized

CAS: 156-60-5 Molecular Formula: C2H2Cl2 Molecular Weight (g/mol): 96.94 MDL Number: MFCD00062942 InChI Key: KFUSEUYYWQURPO-OWOJBTEDSA-N Synonym: trans-1,2-dichloroethylene,trans-1,2-dichloroethene,e-1,2-dichloroethene,e-1,2-dichloroethylene,trans-dichloroethylene,trans-acetylene dichloride,1,2-trans-dichloroethylene,acetylene dichloride,ethene, 1,2-dichloro-, 1e,dioform PubChem CID: 638186 ChEBI: CHEBI:29027 IUPAC Name: (E)-1,2-dichloroethene SMILES: Cl\C=C\Cl

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PubChem CID	638186
CAS	156-60-5
Molecular Weight (g/mol)	96.94
ChEBI	CHEBI:29027
MDL Number	MFCD00062942
SMILES	Cl\C=C\Cl
Synonym	trans-1,2-dichloroethylene,trans-1,2-dichloroethene,e-1,2-dichloroethene,e-1,2-dichloroethylene,trans-dichloroethylene,trans-acetylene dichloride,1,2-trans-dichloroethylene,acetylene dichloride,ethene, 1,2-dichloro-, 1e,dioform
IUPAC Name	(E)-1,2-dichloroethene
InChI Key	KFUSEUYYWQURPO-OWOJBTEDSA-N
Molecular Formula	C2H2Cl2

1-Chlorobutane 99.0+%, TCI America™

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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5-Chloro-2-pentanone, 94%

CAS: 5891-21-4 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.576 MDL Number: MFCD00001008 InChI Key: XVRIEWDDMODMGA-UHFFFAOYSA-N Synonym: 5-chloro-2-pentanone,2-pentanone, 5-chloro,1-chloro-4-pentanone,3-chloropropyl methyl ketone,2-pentanone 5-chloro,1-chloro-4-oxopentane,pubchem17207,3-acetylpropyl chloride,5-chloro-pentan-2-one,5-chloranylpentan-2-one PubChem CID: 79993 IUPAC Name: 5-chloropentan-2-one SMILES: CC(=O)CCCCl

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PubChem CID	79993
CAS	5891-21-4
Molecular Weight (g/mol)	120.576
MDL Number	MFCD00001008
SMILES	CC(=O)CCCCl
Synonym	5-chloro-2-pentanone,2-pentanone, 5-chloro,1-chloro-4-pentanone,3-chloropropyl methyl ketone,2-pentanone 5-chloro,1-chloro-4-oxopentane,pubchem17207,3-acetylpropyl chloride,5-chloro-pentan-2-one,5-chloranylpentan-2-one
IUPAC Name	5-chloropentan-2-one
InChI Key	XVRIEWDDMODMGA-UHFFFAOYSA-N
Molecular Formula	C5H9ClO

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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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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

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Chloromethyl pivalate, 97%

CAS: 18997-19-8 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.60 MDL Number: MFCD00000884 InChI Key: GGRHYQCXXYLUTL-UHFFFAOYSA-N Synonym: chloromethyl pivalate,propanoic acid, 2,2-dimethyl-, chloromethyl ester,pivalic acid chloromethyl ester,pivaloyloxymethyl chloride,pivaloylmethyl chloride,chloromethyl trimethylacetate,2,2-dimethylpropionic acid chloromethyl ester,chioromethyl pivalate,chloromethyl pivaloate,chloro-methyl pivalate PubChem CID: 87885 IUPAC Name: chloromethyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OCCl

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PubChem CID	87885
CAS	18997-19-8
Molecular Weight (g/mol)	150.60
MDL Number	MFCD00000884
SMILES	CC(C)(C)C(=O)OCCl
Synonym	chloromethyl pivalate,propanoic acid, 2,2-dimethyl-, chloromethyl ester,pivalic acid chloromethyl ester,pivaloyloxymethyl chloride,pivaloylmethyl chloride,chloromethyl trimethylacetate,2,2-dimethylpropionic acid chloromethyl ester,chioromethyl pivalate,chloromethyl pivaloate,chloro-methyl pivalate
IUPAC Name	chloromethyl 2,2-dimethylpropanoate
InChI Key	GGRHYQCXXYLUTL-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

1,2-Dichloropropane, 98%, pure

CAS: 78-87-5 Molecular Formula: C3H6Cl2 Molecular Weight (g/mol): 112.98 MDL Number: MFCD00000868 InChI Key: KNKRKFALVUDBJE-UHFFFAOYNA-N Synonym: propylene dichloride,propane, 1,2-dichloro,propylene chloride,dwuchloropropan,bichlorure de propylene,rcra waste number u083,caswell no. 324,dwuchloropropan polish,alpha,beta-dichloropropane,ccris 951 PubChem CID: 6564 ChEBI: CHEBI:82163 IUPAC Name: 1,2-dichloropropane SMILES: CC(Cl)CCl

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PubChem CID	6564
CAS	78-87-5
Molecular Weight (g/mol)	112.98
ChEBI	CHEBI:82163
MDL Number	MFCD00000868
SMILES	CC(Cl)CCl
Synonym	propylene dichloride,propane, 1,2-dichloro,propylene chloride,dwuchloropropan,bichlorure de propylene,rcra waste number u083,caswell no. 324,dwuchloropropan polish,alpha,beta-dichloropropane,ccris 951
IUPAC Name	1,2-dichloropropane
InChI Key	KNKRKFALVUDBJE-UHFFFAOYNA-N
Molecular Formula	C3H6Cl2

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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2,3-Dichloro-1-propene, 98%

CAS: 78-88-6 Molecular Formula: C3H4Cl2 Molecular Weight (g/mol): 110.965 MDL Number: MFCD00000943 InChI Key: FALCMQXTWHPRIH-UHFFFAOYSA-N Synonym: 2,3-dichloropropene,2,3-dichloro-1-propene,2-chloroallyl chloride,2,3-dichloropropylene,1-propene, 2,3-dichloro,propene, 2,3-dichloro,1,2-dichloro-2-propene,propylene, 2,3-dichloro,ccris 956,unii-370tnk5i41 PubChem CID: 6565 IUPAC Name: 2,3-dichloroprop-1-ene SMILES: C=C(CCl)Cl

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PubChem CID	6565
CAS	78-88-6
Molecular Weight (g/mol)	110.965
MDL Number	MFCD00000943
SMILES	C=C(CCl)Cl
Synonym	2,3-dichloropropene,2,3-dichloro-1-propene,2-chloroallyl chloride,2,3-dichloropropylene,1-propene, 2,3-dichloro,propene, 2,3-dichloro,1,2-dichloro-2-propene,propylene, 2,3-dichloro,ccris 956,unii-370tnk5i41
IUPAC Name	2,3-dichloroprop-1-ene
InChI Key	FALCMQXTWHPRIH-UHFFFAOYSA-N
Molecular Formula	C3H4Cl2

2-Chlorobutane, 99+%

CAS: 78-86-4 Molecular Formula: C₄H₉Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00000871 InChI Key: BSPCSKHALVHRSR-UHFFFAOYSA-N Synonym: sec-butyl chloride,butane, 2-chloro,1-methylpropyl chloride,2-chloro-butane,ccris 9391,alkanes, c11-14, 2-chloro,sec.-butyl chloride,sjphadilup@,sec-c4h9cl,acmc-209pfl PubChem CID: 6563 IUPAC Name: 2-chlorobutane SMILES: CCC(C)Cl

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PubChem CID	6563
CAS	78-86-4
Molecular Weight (g/mol)	92.57
MDL Number	MFCD00000871
SMILES	CCC(C)Cl
Synonym	sec-butyl chloride,butane, 2-chloro,1-methylpropyl chloride,2-chloro-butane,ccris 9391,alkanes, c11-14, 2-chloro,sec.-butyl chloride,sjphadilup@,sec-c4h9cl,acmc-209pfl
IUPAC Name	2-chlorobutane
InChI Key	BSPCSKHALVHRSR-UHFFFAOYSA-N
Molecular Formula	C₄H₉Cl

Benzyl chloroformate, 3M (50 wt%) solution in toluene

CAS: 501-53-1 | C₈H₇ClO₂ | 170.6 g/mol

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Linear Formula	C₆H₅CH₂OOCCl
Molecular Weight (g/mol)	170.6
CAS Min %	47.0
InChI Key	HSDAJNMJOMSNEV-UHFFFAOYSA-N
Density	1.0100g/mL
PubChem CID	10387
Name Note	50 wt. % Solution in Toluene
Percent Purity	45 to 53 wt%
Fieser	01,109; 02,59; 15,22
Formula Weight	170.6
CAS Max %	55.0
Physical Form	Solution
Chemical Name or Material	Benzyl chloroformate
SMILES	C1=CC=C(C=C1)COC(=O)Cl
Merck Index	15, 1801
CAS	100-44-7
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER or doctor/physician. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Do not breathe dust/fume/gas/mist/vapors/spray. IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician. Avoid release to the environment.
MDL Number	MFCD00000640
Health Hazard 2	GHS H Statement May cause drowsiness or dizziness. May cause cancer. May be fatal if swallowed and enters airways. May cause damage to organs through prolonged or repeated exposure. Very toxic to aquatic life with long lasting effects. Causes severe skin burns and eye damage. Suspected of damaging the unborn child. Highly flammable liquid and vapor.
Solubility Information	Solubility in water: decomposes
Packaging	Glass bottle
Flash Point	7°C
Health Hazard 1	GHS Signal Word: Danger
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
TSCA	TSCA
IUPAC Name	benzyl carbonochloridate
Beilstein	06, 437
Molecular Formula	C₈H₇ClO₂
EINECS Number	207-925-0
Specific Gravity	1.01

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Methyl chloroformate, 99%

CAS: 79-22-1 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.49 MDL Number: MFCD00000639 InChI Key: XMJHPCRAQCTCFT-UHFFFAOYSA-N Synonym: methyl chloroformate,methyl chlorocarbonate,chloroformic acid methyl ester,methoxycarbonyl chloride,carbonochloridic acid, methyl ester,methyl chloridocarbonate,chloro methoxy methanone,metilcloroformiato,k-stoff,methylchloorformiaat PubChem CID: 6586 IUPAC Name: methyl carbonochloridate SMILES: COC(Cl)=O

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PubChem CID	6586
CAS	79-22-1
Molecular Weight (g/mol)	94.49
MDL Number	MFCD00000639
SMILES	COC(Cl)=O
Synonym	methyl chloroformate,methyl chlorocarbonate,chloroformic acid methyl ester,methoxycarbonyl chloride,carbonochloridic acid, methyl ester,methyl chloridocarbonate,chloro methoxy methanone,metilcloroformiato,k-stoff,methylchloorformiaat
IUPAC Name	methyl carbonochloridate
InChI Key	XMJHPCRAQCTCFT-UHFFFAOYSA-N
Molecular Formula	C2H3ClO2

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1-Bromo-4-chlorobutane, 99%

CAS: 6940-78-9 Molecular Formula: C4H8BrCl Molecular Weight (g/mol): 171.462 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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PubChem CID	81364
CAS	6940-78-9
Molecular Weight (g/mol)	171.462
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

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