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-Bromo-3-chloropropane, 99%

CAS: 109-70-6 Molecular Formula: C₃H₆BrCl Molecular Weight (g/mol): 157.44 MDL Number: MFCD00000998 InChI Key: MFESCIUQSIBMSM-UHFFFAOYSA-N Synonym: trimethylene chlorobromide,1-chloro-3-bromopropane,3-bromopropyl chloride,3-chloropropyl bromide,propane, 1-bromo-3-chloro,3-chloro-1-bromopropane,3-bromo-1-chloropropane,trimethylene bromide chloride,1,3-chbp,1,3-chlorbromopropane PubChem CID: 8006 IUPAC Name: 1-bromo-3-chloropropane SMILES: C(CCl)CBr

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PubChem CID	8006
CAS	109-70-6
Molecular Weight (g/mol)	157.44
MDL Number	MFCD00000998
SMILES	C(CCl)CBr
Synonym	trimethylene chlorobromide,1-chloro-3-bromopropane,3-bromopropyl chloride,3-chloropropyl bromide,propane, 1-bromo-3-chloro,3-chloro-1-bromopropane,3-bromo-1-chloropropane,trimethylene bromide chloride,1,3-chbp,1,3-chlorbromopropane
IUPAC Name	1-bromo-3-chloropropane
InChI Key	MFESCIUQSIBMSM-UHFFFAOYSA-N
Molecular Formula	C₃H₆BrCl

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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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

1,6-Dichlorohexane, 98%

CAS: 2163-00-0 Molecular Formula: C6H12Cl2 Molecular Weight (g/mol): 155.062 MDL Number: MFCD00001020 InChI Key: OVISMSJCKCDOPU-UHFFFAOYSA-N Synonym: hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml PubChem CID: 16551 IUPAC Name: 1,6-dichlorohexane SMILES: C(CCCCl)CCCl

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PubChem CID	16551
CAS	2163-00-0
Molecular Weight (g/mol)	155.062
MDL Number	MFCD00001020
SMILES	C(CCCCl)CCCl
Synonym	hexane, 1,6-dichloro,hexamethylene dichloride,hexamethylene chloride,1,6-dichlorhexan,hexane,6-dichloro,1,6-dichloro-hexan,1,6-dichloro hexane,hexane,1,6-dichloro,acmc-209fml
IUPAC Name	1,6-dichlorohexane
InChI Key	OVISMSJCKCDOPU-UHFFFAOYSA-N
Molecular Formula	C6H12Cl2

1,2-Dichloropropane, 98%

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

2-Chloropropene, 99%

CAS: 557-98-2 Molecular Formula: C3H5Cl Molecular Weight (g/mol): 76.523 MDL Number: MFCD00000859 InChI Key: PNLQPWWBHXMFCA-UHFFFAOYSA-N Synonym: 2-chloropropene,1-propene, 2-chloro,isopropenyl chloride,2-chloropropylene,2-chloro-1-propene,beta-chloropropene,beta-chloropropylene,propene, 2-chloro,unii-50txn55e4a,2-chloro propylene PubChem CID: 11203 IUPAC Name: 2-chloroprop-1-ene SMILES: CC(=C)Cl

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PubChem CID	11203
CAS	557-98-2
Molecular Weight (g/mol)	76.523
MDL Number	MFCD00000859
SMILES	CC(=C)Cl
Synonym	2-chloropropene,1-propene, 2-chloro,isopropenyl chloride,2-chloropropylene,2-chloro-1-propene,beta-chloropropene,beta-chloropropylene,propene, 2-chloro,unii-50txn55e4a,2-chloro propylene
IUPAC Name	2-chloroprop-1-ene
InChI Key	PNLQPWWBHXMFCA-UHFFFAOYSA-N
Molecular Formula	C3H5Cl

5-Chloromethyl-1H-tetrazole, 95%

CAS: 55408-11-2 Molecular Formula: C2H3ClN4 Molecular Weight (g/mol): 118.52 MDL Number: MFCD00512845 InChI Key: AGWSISOYPHROLN-UHFFFAOYSA-N Synonym: 5-chloromethyl-1h-tetrazole,5-chloromethyl-1h-1,2,3,4-tetrazole,5-chloromethyl-2h-tetrazole,1h-tetrazole, 5-chloromethyl,5-chloromethyl-1 2 h-tetrazole,5-chloromethyl-2h-1,2,3,4-tetrazole,chloromethyltetrazole,pubchem9133,5-chloromethyltetrazole PubChem CID: 12205080 IUPAC Name: 5-(chloromethyl)-2H-tetrazole SMILES: ClCC1=NNN=N1

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Specifications

PubChem CID	12205080
CAS	55408-11-2
Molecular Weight (g/mol)	118.52
MDL Number	MFCD00512845
SMILES	ClCC1=NNN=N1
Synonym	5-chloromethyl-1h-tetrazole,5-chloromethyl-1h-1,2,3,4-tetrazole,5-chloromethyl-2h-tetrazole,1h-tetrazole, 5-chloromethyl,5-chloromethyl-1 2 h-tetrazole,5-chloromethyl-2h-1,2,3,4-tetrazole,chloromethyltetrazole,pubchem9133,5-chloromethyltetrazole
IUPAC Name	5-(chloromethyl)-2H-tetrazole
InChI Key	AGWSISOYPHROLN-UHFFFAOYSA-N
Molecular Formula	C2H3ClN4

1-Bromo-1-chloroethane, 98%

CAS: 593-96-4 Molecular Formula: C2H4BrCl Molecular Weight (g/mol): 143.408 MDL Number: MFCD00018842 InChI Key: QMSVNDSDEZTYAS-UHFFFAOYSA-N Synonym: ch3chclbr,ethane, 1-bromo-1-chloro,bromochloroethane,ethane, bromochloro,bromochloroethan,chlorobromoethane,bromo-chloroethane,1-bromochoroethane,bromo chloro ethane,acmc-20aoxm PubChem CID: 11654 IUPAC Name: 1-bromo-1-chloroethane SMILES: CC(Cl)Br

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Specifications

PubChem CID	11654
CAS	593-96-4
Molecular Weight (g/mol)	143.408
MDL Number	MFCD00018842
SMILES	CC(Cl)Br
Synonym	ch3chclbr,ethane, 1-bromo-1-chloro,bromochloroethane,ethane, bromochloro,bromochloroethan,chlorobromoethane,bromo-chloroethane,1-bromochoroethane,bromo chloro ethane,acmc-20aoxm
IUPAC Name	1-bromo-1-chloroethane
InChI Key	QMSVNDSDEZTYAS-UHFFFAOYSA-N
Molecular Formula	C2H4BrCl

1,2,3-Trichloropropane, 98+%

CAS: 96-18-4 Molecular Formula: C3H5Cl3 Molecular Weight (g/mol): 147.42 MDL Number: MFCD00000946 InChI Key: CFXQEHVMCRXUSD-UHFFFAOYSA-N Synonym: trichlorohydrin,allyl trichloride,propane, 1,2,3-trichloro,glycerol trichlorohydrin,glyceryl trichlorohydrin,unii-3mj7qck0z0,ccris 5874,3mj7qck0z0,dsstox_cid_1390,dsstox_rid_76132 PubChem CID: 7285 ChEBI: CHEBI:34036 IUPAC Name: 1,2,3-trichloropropane SMILES: ClCC(Cl)CCl

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PubChem CID	7285
CAS	96-18-4
Molecular Weight (g/mol)	147.42
ChEBI	CHEBI:34036
MDL Number	MFCD00000946
SMILES	ClCC(Cl)CCl
Synonym	trichlorohydrin,allyl trichloride,propane, 1,2,3-trichloro,glycerol trichlorohydrin,glyceryl trichlorohydrin,unii-3mj7qck0z0,ccris 5874,3mj7qck0z0,dsstox_cid_1390,dsstox_rid_76132
IUPAC Name	1,2,3-trichloropropane
InChI Key	CFXQEHVMCRXUSD-UHFFFAOYSA-N
Molecular Formula	C3H5Cl3

2,2,2-Trichloroethyl chloroformate, 97%

CAS: 17341-93-4 Molecular Formula: C3H2Cl4O2 Molecular Weight (g/mol): 211.847 MDL Number: MFCD00000810 InChI Key: LJCZNYWLQZZIOS-UHFFFAOYSA-N Synonym: 2,2,2-trichloroethyl chloroformate,trichloroethyl chloroformate,2,2,2-trichloroethylchloroformate,carbonochloridic acid, 2,2,2-trichloroethyl ester,2,2,2-trichloroethoxycarbonyl chloride,chloroformic acid 2,2,2-trichloroethyl ester,formic acid, chloro-, 2,2,2-trichloroethyl ester,chloro 2,2,2-trichloroethoxy methanone,beta, beta, beta-trichloroethoxycarbonyl chloride,troc PubChem CID: 87063 IUPAC Name: 2,2,2-trichloroethyl carbonochloridate SMILES: C(C(Cl)(Cl)Cl)OC(=O)Cl

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Specifications

PubChem CID	87063
CAS	17341-93-4
Molecular Weight (g/mol)	211.847
MDL Number	MFCD00000810
SMILES	C(C(Cl)(Cl)Cl)OC(=O)Cl
Synonym	2,2,2-trichloroethyl chloroformate,trichloroethyl chloroformate,2,2,2-trichloroethylchloroformate,carbonochloridic acid, 2,2,2-trichloroethyl ester,2,2,2-trichloroethoxycarbonyl chloride,chloroformic acid 2,2,2-trichloroethyl ester,formic acid, chloro-, 2,2,2-trichloroethyl ester,chloro 2,2,2-trichloroethoxy methanone,beta, beta, beta-trichloroethoxycarbonyl chloride,troc
IUPAC Name	2,2,2-trichloroethyl carbonochloridate
InChI Key	LJCZNYWLQZZIOS-UHFFFAOYSA-N
Molecular Formula	C3H2Cl4O2

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-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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Specifications

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

N-Methoxy-N-methylcarbamoyl chloride, 95%, Thermo Scientific Chemicals

CAS: 30289-28-2 Molecular Formula: C3H6ClNO2 Molecular Weight (g/mol): 123.54 MDL Number: MFCD06658962 InChI Key: SHQJHXLWZDMQEJ-UHFFFAOYSA-N Synonym: acmc-209he9,methylmethoxycarbamoyl chloride,methoxy methyl carbamic chloride,n-methoxy-n-methylcarbamic chloride,n-methoxy-n-methylcarbamyl chloride,n-methyl-n-methoxycarbamyl chloride,carbamic chloride,n-methoxy-n-methyl,n-methoxy-n-methylcarbamic acid chloride PubChem CID: 2734926 IUPAC Name: N-methoxy-N-methylcarbamoyl chloride SMILES: CON(C)C(Cl)=O

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Specifications

PubChem CID	2734926
CAS	30289-28-2
Molecular Weight (g/mol)	123.54
MDL Number	MFCD06658962
SMILES	CON(C)C(Cl)=O
Synonym	acmc-209he9,methylmethoxycarbamoyl chloride,methoxy methyl carbamic chloride,n-methoxy-n-methylcarbamic chloride,n-methoxy-n-methylcarbamyl chloride,n-methyl-n-methoxycarbamyl chloride,carbamic chloride,n-methoxy-n-methyl,n-methoxy-n-methylcarbamic acid chloride
IUPAC Name	N-methoxy-N-methylcarbamoyl chloride
InChI Key	SHQJHXLWZDMQEJ-UHFFFAOYSA-N
Molecular Formula	C3H6ClNO2

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

5-chloro-2-pentanone, 90%

CAS: 5891-21-4 Molecular Formula: C₅H₉ClO Molecular Weight (g/mol): 120.58 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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Specifications

PubChem CID	79993
CAS	5891-21-4
Molecular Weight (g/mol)	120.58
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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