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-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

1-(Chloromethyl)naphthalene, 95%

CAS: 86-52-2 Molecular Formula: C₁₁H₉Cl Molecular Weight (g/mol): 176.65 MDL Number: MFCD00004042 InChI Key: XMWGTKZEDLCVIG-UHFFFAOYSA-N Synonym: 1-chloromethyl naphthalene,naphthalene, 1-chloromethyl,1-naphthylmethyl chloride,1-menaphthyl chloride,1-chlormethyl naftalen,chloromethyl naphthalene,1-chloro methylnaphthalene,alpha-naphthylmethyl chloride PubChem CID: 6845 IUPAC Name: 1-(chloromethyl)naphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2CCl

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PubChem CID	6845
CAS	86-52-2
Molecular Weight (g/mol)	176.65
MDL Number	MFCD00004042
SMILES	C1=CC=C2C(=C1)C=CC=C2CCl
Synonym	1-chloromethyl naphthalene,naphthalene, 1-chloromethyl,1-naphthylmethyl chloride,1-menaphthyl chloride,1-chlormethyl naftalen,chloromethyl naphthalene,1-chloro methylnaphthalene,alpha-naphthylmethyl chloride
IUPAC Name	1-(chloromethyl)naphthalene
InChI Key	XMWGTKZEDLCVIG-UHFFFAOYSA-N
Molecular Formula	C₁₁H₉Cl

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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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

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

1-Chlorobutane, HPLC Grade, 99.5+%

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

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-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

alpha,alpha,alpha-Trichlorotoluene, 98%

CAS: 98-07-7 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000786 InChI Key: XEMRAKSQROQPBR-UHFFFAOYSA-N Synonym: benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane PubChem CID: 7367 ChEBI: CHEBI:82274 IUPAC Name: trichloromethylbenzene SMILES: ClC(Cl)(Cl)C1=CC=CC=C1

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Specifications

PubChem CID	7367
CAS	98-07-7
Molecular Weight (g/mol)	195.47
ChEBI	CHEBI:82274
MDL Number	MFCD00000786
SMILES	ClC(Cl)(Cl)C1=CC=CC=C1
Synonym	benzotrichloride,trichloromethyl benzene,alpha,alpha,alpha-trichlorotoluene,phenylchloroform,toluene trichloride,benzenyl trichloride,benzene, trichloromethyl,benzyl trichloride,benzylidyne chloride,phenyltrichloromethane
IUPAC Name	trichloromethylbenzene
InChI Key	XEMRAKSQROQPBR-UHFFFAOYSA-N
Molecular Formula	C7H5Cl3

Tetrachloroethylene, Ultrapure, Spectrophotometric Grade, 99+%

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 IUPAC Name: 1,1,2,2-tetrachloroethene 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
IUPAC Name	1,1,2,2-tetrachloroethene
InChI Key	CYTYCFOTNPOANT-UHFFFAOYSA-N
Molecular Formula	C2Cl4

1-Chlorobutane, 99.5%, anhydrous, AcroSeal™

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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

6-Chloro-1-hexene, 97%

CAS: 928-89-2 Molecular Formula: C6H11Cl Molecular Weight (g/mol): 118.604 MDL Number: MFCD00039391 InChI Key: BLMIXWDJHNJWDT-UHFFFAOYSA-N Synonym: 6-chloro-1-hexene,1-hexene, 6-chloro,5-hexenyl chloride,6-chlorohexene,chloro-1-hex,6-chloro-1-hexen,1-chloro-5-hexene,1-chlorohex-5-ene,acmc-20alz4,5-hexen-1-yl chloride PubChem CID: 70233 IUPAC Name: 6-chlorohex-1-ene SMILES: C=CCCCCCl

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Specifications

PubChem CID	70233
CAS	928-89-2
Molecular Weight (g/mol)	118.604
MDL Number	MFCD00039391
SMILES	C=CCCCCCl
Synonym	6-chloro-1-hexene,1-hexene, 6-chloro,5-hexenyl chloride,6-chlorohexene,chloro-1-hex,6-chloro-1-hexen,1-chloro-5-hexene,1-chlorohex-5-ene,acmc-20alz4,5-hexen-1-yl chloride
IUPAC Name	6-chlorohex-1-ene
InChI Key	BLMIXWDJHNJWDT-UHFFFAOYSA-N
Molecular Formula	C6H11Cl

1-Chloro-2-octyne, 98%, Thermo Scientific Chemicals

CAS: 51575-83-8 Molecular Formula: C8H13Cl Molecular Weight (g/mol): 144.642 MDL Number: MFCD00274223 InChI Key: OUMUOQQKEAGFCJ-UHFFFAOYSA-N Synonym: 1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa PubChem CID: 4349444 IUPAC Name: 1-chlorooct-2-yne SMILES: CCCCCC#CCCl

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Specifications

PubChem CID	4349444
CAS	51575-83-8
Molecular Weight (g/mol)	144.642
MDL Number	MFCD00274223
SMILES	CCCCCC#CCCl
Synonym	1-chloro-2-octyne,acmc-1asda,oumuoqqkeagfcj-uhfffaoysa
IUPAC Name	1-chlorooct-2-yne
InChI Key	OUMUOQQKEAGFCJ-UHFFFAOYSA-N
Molecular Formula	C8H13Cl

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

Organochlorides

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