Organochlorides

Organic compounds that contain one or more chlorine atoms.

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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

Allyl Chloride 98.0+%, TCI America™

CAS: 107-05-1 Molecular Formula: C3H5Cl Molecular Weight (g/mol): 76.523 MDL Number: MFCD00000984 InChI Key: OSDWBNJEKMUWAV-UHFFFAOYSA-N Synonym: allyl chloride,3-chloro-1-propene,1-propene, 3-chloro,3-chloropropylene,3-chloropropene,chlorallylene,allylchlorid,2-propenyl chloride,1-chloro-2-propene,allylchloride PubChem CID: 7850 ChEBI: CHEBI:82379 IUPAC Name: 3-chloroprop-1-ene SMILES: C=CCCl

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PubChem CID	7850
CAS	107-05-1
Molecular Weight (g/mol)	76.523
ChEBI	CHEBI:82379
MDL Number	MFCD00000984
SMILES	C=CCCl
Synonym	allyl chloride,3-chloro-1-propene,1-propene, 3-chloro,3-chloropropylene,3-chloropropene,chlorallylene,allylchlorid,2-propenyl chloride,1-chloro-2-propene,allylchloride
IUPAC Name	3-chloroprop-1-ene
InChI Key	OSDWBNJEKMUWAV-UHFFFAOYSA-N
Molecular Formula	C3H5Cl

1-chlorobutane, Sequenation Grade

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

Chloroacetonitrile, 98+%

CAS: 107-14-2 Molecular Formula: C2H2ClN Molecular Weight (g/mol): 75.495 MDL Number: MFCD00001885 InChI Key: RENMDAKOXSCIGH-UHFFFAOYSA-N Synonym: chloroacetonitrile,chloracetonitrile,acetonitrile, chloro,chloromethyl cyanide,monochloroacetonitrile,chloroethanenitrile,monochloromethyl cyanide,usaf kf-5,alpha-chloroacetonitrile,acetonitrile, 2-chloro PubChem CID: 7856 ChEBI: CHEBI:82416 IUPAC Name: 2-chloroacetonitrile SMILES: C(C#N)Cl

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PubChem CID	7856
CAS	107-14-2
Molecular Weight (g/mol)	75.495
ChEBI	CHEBI:82416
MDL Number	MFCD00001885
SMILES	C(C#N)Cl
Synonym	chloroacetonitrile,chloracetonitrile,acetonitrile, chloro,chloromethyl cyanide,monochloroacetonitrile,chloroethanenitrile,monochloromethyl cyanide,usaf kf-5,alpha-chloroacetonitrile,acetonitrile, 2-chloro
IUPAC Name	2-chloroacetonitrile
InChI Key	RENMDAKOXSCIGH-UHFFFAOYSA-N
Molecular Formula	C2H2ClN

2-Chloropropane 99.0+%, TCI America™

CAS: 75-29-6 Molecular Formula: C3H7Cl Molecular Weight (g/mol): 78.539 MDL Number: MFCD00000867 InChI Key: ULYZAYCEDJDHCC-UHFFFAOYSA-N Synonym: isopropyl chloride,propane, 2-chloro,isopropylchloride,2-propyl chloride,sec-propyl chloride,chlorodimethylmethane,narcosop,isoprid,unii-vu39j8aj2n,ccris 874 PubChem CID: 6361 IUPAC Name: 2-chloropropane SMILES: CC(C)Cl

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PubChem CID	6361
CAS	75-29-6
Molecular Weight (g/mol)	78.539
MDL Number	MFCD00000867
SMILES	CC(C)Cl
Synonym	isopropyl chloride,propane, 2-chloro,isopropylchloride,2-propyl chloride,sec-propyl chloride,chlorodimethylmethane,narcosop,isoprid,unii-vu39j8aj2n,ccris 874
IUPAC Name	2-chloropropane
InChI Key	ULYZAYCEDJDHCC-UHFFFAOYSA-N
Molecular Formula	C3H7Cl

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

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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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

Crotyl Chloride (cis- and trans- mixture) 95.0+%, TCI America™

CAS: 591-97-9 Molecular Formula: C4H7Cl Molecular Weight (g/mol): 90.55 MDL Number: MFCD00000987 InChI Key: YTKRILODNOEEPX-NSCUHMNNSA-N Synonym: 1-chloro-2-butene,crotyl chloride,e-1-chlorobut-2-ene,2-butenyl chloride,e-1-chloro-2-butene,1-chlorobut-2-ene,krotylchlorid czech,gamma-methallyl chloride,gamma-methylallyl chloride,unii-xx3qn28jux PubChem CID: 637923 IUPAC Name: (E)-1-chlorobut-2-ene SMILES: CC=CCCl

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PubChem CID	637923
CAS	591-97-9
Molecular Weight (g/mol)	90.55
MDL Number	MFCD00000987
SMILES	CC=CCCl
Synonym	1-chloro-2-butene,crotyl chloride,e-1-chlorobut-2-ene,2-butenyl chloride,e-1-chloro-2-butene,1-chlorobut-2-ene,krotylchlorid czech,gamma-methallyl chloride,gamma-methylallyl chloride,unii-xx3qn28jux
IUPAC Name	(E)-1-chlorobut-2-ene
InChI Key	YTKRILODNOEEPX-NSCUHMNNSA-N
Molecular Formula	C4H7Cl

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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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

Isobutyl chloroformate, 98%

CAS: 543-27-1 Molecular Formula: C₅H₉ClO₂ Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000642 InChI Key: YOETUEMZNOLGDB-UHFFFAOYSA-N Synonym: isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob PubChem CID: 62365 IUPAC Name: 2-methylpropyl carbonochloridate SMILES: CC(C)COC(=O)Cl

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PubChem CID	62365
CAS	543-27-1
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00000642
SMILES	CC(C)COC(=O)Cl
Synonym	isobutyl chloroformate,2-methylpropyl chloroformate,chloroformic acid isobutyl ester,isobutyl chlorocarbonate,carbonochloridic acid, 2-methylpropyl ester,isobutylchloroformate,i-butyl chloroformate,chlorocarbonic acid isobutyl ester,isobutyl carbonochloridate,unii-6s785tc0ob
IUPAC Name	2-methylpropyl carbonochloridate
InChI Key	YOETUEMZNOLGDB-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₂

Butyl chloroformate, 98%

CAS: 592-34-7 MDL Number: MFCD00000650 InChI Key: NRDQFWXVTPZZAZ-UHFFFAOYSA-N Synonym: butyl chloroformate,n-butyl chloroformate,butylchloroformate,carbonochloridic acid, butyl ester,chloroformic acid butyl ester,butyl chlorocarbonate,n-butyl chlorocarbonate,formic acid, chloro-, butyl ester,butyl-chloroformate,butylchloro-formate PubChem CID: 61140 IUPAC Name: butyl carbonochloridate SMILES: CCCCOC(=O)Cl

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PubChem CID	61140
CAS	592-34-7
MDL Number	MFCD00000650
SMILES	CCCCOC(=O)Cl
Synonym	butyl chloroformate,n-butyl chloroformate,butylchloroformate,carbonochloridic acid, butyl ester,chloroformic acid butyl ester,butyl chlorocarbonate,n-butyl chlorocarbonate,formic acid, chloro-, butyl ester,butyl-chloroformate,butylchloro-formate
IUPAC Name	butyl carbonochloridate
InChI Key	NRDQFWXVTPZZAZ-UHFFFAOYSA-N

2-Chloro-2-methylbutane, 95%

CAS: 594-36-5 Molecular Formula: C5H11Cl Molecular Weight (g/mol): 106.593 MDL Number: MFCD00000818 InChI Key: CRNIHJHMEQZAAS-UHFFFAOYSA-N Synonym: tert-amyl chloride,butane, 2-chloro-2-methyl,2-methyl-2-chlorobutane,tert-pentyl chloride,1,1-dimethylpropyl chloride,tertiary pentyl chloride,t-pentyl chloride,acmc-209mdc,2-chloro-2-methyl butane,2-chloro-2-methyl-butane PubChem CID: 61143 IUPAC Name: 2-chloro-2-methylbutane SMILES: CCC(C)(C)Cl

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PubChem CID	61143
CAS	594-36-5
Molecular Weight (g/mol)	106.593
MDL Number	MFCD00000818
SMILES	CCC(C)(C)Cl
Synonym	tert-amyl chloride,butane, 2-chloro-2-methyl,2-methyl-2-chlorobutane,tert-pentyl chloride,1,1-dimethylpropyl chloride,tertiary pentyl chloride,t-pentyl chloride,acmc-209mdc,2-chloro-2-methyl butane,2-chloro-2-methyl-butane
IUPAC Name	2-chloro-2-methylbutane
InChI Key	CRNIHJHMEQZAAS-UHFFFAOYSA-N
Molecular Formula	C5H11Cl

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

(2-Chloroethyl)benzene 99.0+%, TCI America™

CAS: 622-24-2 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000977 InChI Key: MNNZINNZIQVULG-UHFFFAOYSA-N Synonym: 2-chloroethyl benzene,phenethyl chloride,2-phenylethyl chloride,benzene, 2-chloroethyl,1-chloro-2-phenylethane,phenethylchloride,ethylchlorobenzene,2-phenyl-1-chloroethane,2-chloroethyl-benzene,beta-phenethyl chloride PubChem CID: 231496 IUPAC Name: (2-chloroethyl)benzene SMILES: ClCCC1=CC=CC=C1

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PubChem CID	231496
CAS	622-24-2
Molecular Weight (g/mol)	140.61
MDL Number	MFCD00000977
SMILES	ClCCC1=CC=CC=C1
Synonym	2-chloroethyl benzene,phenethyl chloride,2-phenylethyl chloride,benzene, 2-chloroethyl,1-chloro-2-phenylethane,phenethylchloride,ethylchlorobenzene,2-phenyl-1-chloroethane,2-chloroethyl-benzene,beta-phenethyl chloride
IUPAC Name	(2-chloroethyl)benzene
InChI Key	MNNZINNZIQVULG-UHFFFAOYSA-N
Molecular Formula	C8H9Cl

1-Chlorodecane 97.0+%, TCI America™

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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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

Organochlorides

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