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

1-Chlorobutane, 99+%, pure

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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Specifications

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

Benzyl chloroformate, 97 wt%, stabilized

CAS: 501-53-1 Molecular Formula: C₈H₇ClO₂ Molecular Weight (g/mol): 170.6 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)	170.6
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

1-Chloropropane, 99%

CAS: 540-54-5 Molecular Formula: C₃H₇Cl Molecular Weight (g/mol): 78.54 MDL Number: MFCD00000995 InChI Key: SNMVRZFUUCLYTO-UHFFFAOYSA-N Synonym: propyl chloride,propane, 1-chloro,n-propyl chloride,chloropropane,unii-tuv7462nwk,1-chloro-propane,tuv7462nwk,n-propylchloride,propane, chloro,1-chloropropyl PubChem CID: 10899 IUPAC Name: 1-chloropropane SMILES: CCCCl

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Specifications

PubChem CID	10899
CAS	540-54-5
Molecular Weight (g/mol)	78.54
MDL Number	MFCD00000995
SMILES	CCCCl
Synonym	propyl chloride,propane, 1-chloro,n-propyl chloride,chloropropane,unii-tuv7462nwk,1-chloro-propane,tuv7462nwk,n-propylchloride,propane, chloro,1-chloropropyl
IUPAC Name	1-chloropropane
InChI Key	SNMVRZFUUCLYTO-UHFFFAOYSA-N
Molecular Formula	C₃H₇Cl

1,4-Dichloro-2-butyne, 99%

CAS: 821-10-3 Molecular Formula: C4H4Cl2 Molecular Weight (g/mol): 122.98 MDL Number: MFCD00000981 InChI Key: RCHDLEVSZBOHOS-UHFFFAOYSA-N Synonym: 1,4-dichloro-2-butyne,2-butyne, 1,4-dichloro,1,4-dichlorobutyne,2-butyne,4-dichloro,1,4 dichloro-2-butyne,1,4-dichloro-2-butine,1,4-dichloro-but-2-yne,acmc-209pn5,wln: g2uu2g,4-01-00-00973 beilstein handbook reference PubChem CID: 13182 IUPAC Name: 1,4-dichlorobut-2-yne SMILES: ClCC#CCCl

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Specifications

PubChem CID	13182
CAS	821-10-3
Molecular Weight (g/mol)	122.98
MDL Number	MFCD00000981
SMILES	ClCC#CCCl
Synonym	1,4-dichloro-2-butyne,2-butyne, 1,4-dichloro,1,4-dichlorobutyne,2-butyne,4-dichloro,1,4 dichloro-2-butyne,1,4-dichloro-2-butine,1,4-dichloro-but-2-yne,acmc-209pn5,wln: g2uu2g,4-01-00-00973 beilstein handbook reference
IUPAC Name	1,4-dichlorobut-2-yne
InChI Key	RCHDLEVSZBOHOS-UHFFFAOYSA-N
Molecular Formula	C4H4Cl2

2-Chloroacrylonitrile, 99%, stabilized

CAS: 920-37-6 Molecular Formula: C3H2ClN Molecular Weight (g/mol): 87.51 MDL Number: MFCD00001858 InChI Key: OYUNTGBISCIYPW-UHFFFAOYSA-N Synonym: 2-chloroacrylonitrile,2-propenenitrile, 2-chloro,chloroacrylonitrile,acrylonitrile, 2-chloro,2-chloro-2-propenenitrile,unii-ffj1qhd154,ccris 6869,alpha-chloroacrylonitrile,.alpha.-chloroacrylonitrile,ffj1qhd154 PubChem CID: 70198 IUPAC Name: 2-chloroprop-2-enenitrile SMILES: ClC(=C)C#N

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Specifications

PubChem CID	70198
CAS	920-37-6
Molecular Weight (g/mol)	87.51
MDL Number	MFCD00001858
SMILES	ClC(=C)C#N
Synonym	2-chloroacrylonitrile,2-propenenitrile, 2-chloro,chloroacrylonitrile,acrylonitrile, 2-chloro,2-chloro-2-propenenitrile,unii-ffj1qhd154,ccris 6869,alpha-chloroacrylonitrile,.alpha.-chloroacrylonitrile,ffj1qhd154
IUPAC Name	2-chloroprop-2-enenitrile
InChI Key	OYUNTGBISCIYPW-UHFFFAOYSA-N
Molecular Formula	C3H2ClN

1-Chloro-2-methylpropane, 98%

CAS: 513-36-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 MDL Number: MFCD00000954 InChI Key: QTBFPMKWQKYFLR-UHFFFAOYSA-N PubChem CID: 10554 IUPAC Name: 1-chloro-2-methylpropane SMILES: CC(C)CCl

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Specifications

PubChem CID	10554
CAS	513-36-0
Molecular Weight (g/mol)	92.566
MDL Number	MFCD00000954
SMILES	CC(C)CCl
IUPAC Name	1-chloro-2-methylpropane
InChI Key	QTBFPMKWQKYFLR-UHFFFAOYSA-N
Molecular Formula	C4H9Cl

1,1,2-Trichloroethane, 98%

CAS: 79-00-5 Molecular Formula: C2H3Cl3 Molecular Weight (g/mol): 133.40 MDL Number: MFCD00000852 InChI Key: UBOXGVDOUJQMTN-UHFFFAOYSA-N Synonym: ethane, 1,1,2-trichloro,vinyltrichloride,beta-trichloroethane,1,1,2-trichlorethane,vinyl trichloride,1,2,2-trichloroethane,ethane trichloride,rcra waste number u227,rcra waste number u359,.beta.-t PubChem CID: 6574 ChEBI: CHEBI:36018 IUPAC Name: 1,1,2-trichloroethane SMILES: ClCC(Cl)Cl

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Specifications

PubChem CID	6574
CAS	79-00-5
Molecular Weight (g/mol)	133.40
ChEBI	CHEBI:36018
MDL Number	MFCD00000852
SMILES	ClCC(Cl)Cl
Synonym	ethane, 1,1,2-trichloro,vinyltrichloride,beta-trichloroethane,1,1,2-trichlorethane,vinyl trichloride,1,2,2-trichloroethane,ethane trichloride,rcra waste number u227,rcra waste number u359,.beta.-t
IUPAC Name	1,1,2-trichloroethane
InChI Key	UBOXGVDOUJQMTN-UHFFFAOYSA-N
Molecular Formula	C2H3Cl3

2-Chlorobutane, 98+%

CAS: 78-86-4 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.566 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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Specifications

PubChem CID	6563
CAS	78-86-4
Molecular Weight (g/mol)	92.566
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

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

CAS: 78-88-6 Molecular Formula: C₃H₄Cl₂ Molecular Weight (g/mol): 110.97 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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Specifications

PubChem CID	6565
CAS	78-88-6
Molecular Weight (g/mol)	110.97
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

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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Specifications

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

3-Chloropropionitrile, 98%

CAS: 542-76-7 Molecular Formula: C3H4ClN Molecular Weight (g/mol): 89.52 MDL Number: MFCD00001952 InChI Key: GNHMRTZZNHZDDM-UHFFFAOYSA-N Synonym: 3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027 PubChem CID: 10963 IUPAC Name: 3-chloropropanenitrile SMILES: ClCCC#N

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Specifications

PubChem CID	10963
CAS	542-76-7
Molecular Weight (g/mol)	89.52
MDL Number	MFCD00001952
SMILES	ClCCC#N
Synonym	3-chloropropionitrile,propanenitrile, 3-chloro,3-chloropropiononitrile,1-chloro-2-cyanoethane,3-chloropropanonitrile,3-chlorpropannitril,propionitrile, 3-chloro,beta-chloropropionitrile,usaf a-8798,rcra waste number p027
IUPAC Name	3-chloropropanenitrile
InChI Key	GNHMRTZZNHZDDM-UHFFFAOYSA-N
Molecular Formula	C3H4ClN

4-Chloro-1-butene, 98%, Thermo Scientific Chemicals

CAS: 927-73-1 Molecular Formula: C₄H₇Cl Molecular Weight (g/mol): 90.55 InChI Key: WKEVRZCQFQDCIR-UHFFFAOYSA-N Synonym: 4-chloro-1-butene,1-butene, 4-chloro,1-but-3-enyl chloride,ksc487m9b PubChem CID: 13565 IUPAC Name: 4-chlorobut-1-ene SMILES: C=CCCCl

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Specifications

PubChem CID	13565
CAS	927-73-1
Molecular Weight (g/mol)	90.55
SMILES	C=CCCCl
Synonym	4-chloro-1-butene,1-butene, 4-chloro,1-but-3-enyl chloride,ksc487m9b
IUPAC Name	4-chlorobut-1-ene
InChI Key	WKEVRZCQFQDCIR-UHFFFAOYSA-N
Molecular Formula	C₄H₇Cl

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 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
IUPAC Name	benzyl 2,2,2-trichloroethanimidate
InChI Key	HUZCTWYDQIQZPM-UHFFFAOYSA-N
Molecular Formula	C9H8Cl3NO

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

Organochlorides

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