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

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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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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

Thermo Scientific Chemicals 3-chloro-2-chloromethyl-1-propene, 96%

CAS: 1871-57-4 Molecular Formula: C4H6Cl2 Molecular Weight (g/mol): 124.99 MDL Number: MFCD00000952 InChI Key: XJFZOSUFGSANIF-UHFFFAOYSA-N Synonym: 3-chloro-2-chloromethyl prop-1-ene,3-chloro-2-chloromethyl-1-propene,1,1-bis chloromethyl ethylene,methallyl dichloride,1-propene, 3-chloro-2-chloromethyl,2-chloromethyl-3-chloropropene,1,3-dichloro-2-methylenepropane,3-chloro-2-chloromethyl propene,2-methylene-1,3-dichloropropane,2-methylenepropane-1,3-dichloride PubChem CID: 15859 IUPAC Name: 3-chloro-2-(chloromethyl)prop-1-ene SMILES: ClCC(=C)CCl

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PubChem CID	15859
CAS	1871-57-4
Molecular Weight (g/mol)	124.99
MDL Number	MFCD00000952
SMILES	ClCC(=C)CCl
Synonym	3-chloro-2-chloromethyl prop-1-ene,3-chloro-2-chloromethyl-1-propene,1,1-bis chloromethyl ethylene,methallyl dichloride,1-propene, 3-chloro-2-chloromethyl,2-chloromethyl-3-chloropropene,1,3-dichloro-2-methylenepropane,3-chloro-2-chloromethyl propene,2-methylene-1,3-dichloropropane,2-methylenepropane-1,3-dichloride
IUPAC Name	3-chloro-2-(chloromethyl)prop-1-ene
InChI Key	XJFZOSUFGSANIF-UHFFFAOYSA-N
Molecular Formula	C4H6Cl2

Thermo Scientific Chemicals 2-chloroethylamine hydrochloride, 98%

CAS: 870-24-6 Molecular Formula: C2H7Cl2N Molecular Weight (g/mol): 115.99 MDL Number: MFCD00012887,MFCD00137399 InChI Key: ONRREFWJTRBDRA-UHFFFAOYSA-N Synonym: 2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl PubChem CID: 9793737 SMILES: [Cl-].[NH3+]CCCl

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PubChem CID	9793737
CAS	870-24-6
Molecular Weight (g/mol)	115.99
MDL Number	MFCD00012887,MFCD00137399
SMILES	[Cl-].[NH3+]CCCl
Synonym	2-chloroethylamine hydrochloride,2-chloroethanamine hydrochloride,1-amino-2-chloroethane hydrochloride,ethanamine, 2-chloro-, hydrochloride,2-aminoethyl chloride hydrochloride,ethanamine, 2-chloro-, hydrochloride 1:1,2-chloroethan-1-amine hydrochloride,chlorethamine hydrochloride,2-chloro-ethylamine hydrochloride,chlorethamine hcl
InChI Key	ONRREFWJTRBDRA-UHFFFAOYSA-N
Molecular Formula	C2H7Cl2N

Thermo Scientific Chemicals 1-Chlorohexane, 95%

CAS: 544-10-5 Molecular Formula: C₆H₁₃Cl Molecular Weight (g/mol): 120.62 MDL Number: MFCD00001018 InChI Key: MLRVZFYXUZQSRU-UHFFFAOYSA-N Synonym: chlorohexane,hexyl chloride,hexane, 1-chloro,n-hexyl chloride,1-chloro-hexane,hexane, chloro,unii-r5l7i6o9nw,r5l7i6o9nw,triisobutenyl chloride,hexylchloride PubChem CID: 10992 IUPAC Name: 1-chlorohexane SMILES: CCCCCCCl

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PubChem CID	10992
CAS	544-10-5
Molecular Weight (g/mol)	120.62
MDL Number	MFCD00001018
SMILES	CCCCCCCl
Synonym	chlorohexane,hexyl chloride,hexane, 1-chloro,n-hexyl chloride,1-chloro-hexane,hexane, chloro,unii-r5l7i6o9nw,r5l7i6o9nw,triisobutenyl chloride,hexylchloride
IUPAC Name	1-chlorohexane
InChI Key	MLRVZFYXUZQSRU-UHFFFAOYSA-N
Molecular Formula	C₆H₁₃Cl

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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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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

Thermo Scientific Chemicals 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

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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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

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 1,3-Dichloropropane, 99%

CAS: 142-28-9 Molecular Formula: C₃H₆Cl₂ Molecular Weight (g/mol): 112.99 MDL Number: MFCD00000999 InChI Key: YHRUOJUYPBUZOS-UHFFFAOYSA-N Synonym: trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan PubChem CID: 8881 IUPAC Name: 1,3-dichloropropane SMILES: C(CCl)CCl

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PubChem CID	8881
CAS	142-28-9
Molecular Weight (g/mol)	112.99
MDL Number	MFCD00000999
SMILES	C(CCl)CCl
Synonym	trimethylene dichloride,propane, 1,3-dichloro,trimethylene chloride,1,3-dichloro-propane,unii-aj1hq2gucp,ccris 9220,ch2clch2ch2cl,aj1hq2gucp,cl ch2 3cl,1,3-dichlorpropan
IUPAC Name	1,3-dichloropropane
InChI Key	YHRUOJUYPBUZOS-UHFFFAOYSA-N
Molecular Formula	C₃H₆Cl₂

Thermo Scientific Chemicals 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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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

Thermo Scientific Chemicals 1-Chlorodecane, 97-99%

CAS: 1002-69-3 Molecular Formula: C10H21Cl Molecular Weight (g/mol): 176.73 MDL Number: MFCD00000956 InChI Key: ZTEHOZMYMCEYRM-UHFFFAOYSA-N Synonym: decyl chloride,decane, 1-chloro,n-decyl chloride,decane, chloro,unii-l0hsc44e5x,decyl chloride mixed isomers,chlorodecane,l0hsc44e5x,chlorodecane mixed isomers,1-chlorodecane PubChem CID: 13848 IUPAC Name: 1-chlorodecane SMILES: CCCCCCCCCCCl

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Specifications

PubChem CID	13848
CAS	1002-69-3
Molecular Weight (g/mol)	176.73
MDL Number	MFCD00000956
SMILES	CCCCCCCCCCCl
Synonym	decyl chloride,decane, 1-chloro,n-decyl chloride,decane, chloro,unii-l0hsc44e5x,decyl chloride mixed isomers,chlorodecane,l0hsc44e5x,chlorodecane mixed isomers,1-chlorodecane
IUPAC Name	1-chlorodecane
InChI Key	ZTEHOZMYMCEYRM-UHFFFAOYSA-N
Molecular Formula	C10H21Cl

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