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Organochlorides

Organic compounds that contain one or more chlorine atoms.

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1

2-Chloro-2-methylpropane, 99%

CAS: 507-20-0 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00000816 InChI Key: NBRKLOOSMBRFMH-UHFFFAOYSA-N Synonym: tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride PubChem CID: 10486 IUPAC Name: 2-chloro-2-methylpropane SMILES: CC(C)(C)Cl

PubChem CID 10486
CAS 507-20-0
Molecular Weight (g/mol) 92.57
MDL Number MFCD00000816
SMILES CC(C)(C)Cl
Synonym tert-butyl chloride,propane, 2-chloro-2-methyl,tert-butylchloride,chlorotrimethylmethane,trimethylchloromethane,2-chloroisobutane,t-butyl chloride,t-butylchloride,2-methyl-2-chloropropane,2-methyl-2-propyl chloride
IUPAC Name 2-chloro-2-methylpropane
InChI Key NBRKLOOSMBRFMH-UHFFFAOYSA-N
Molecular Formula C4H9Cl
2

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

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
3

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

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
4

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

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
5

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

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
6

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

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
7

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

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
8

2-(Chloromethyl)benzothiazole, 95%

CAS: 37859-43-1 Molecular Formula: C8H6ClNS Molecular Weight (g/mol): 183.65 MDL Number: MFCD05664944 InChI Key: SERUZNHRWBXDOX-UHFFFAOYSA-N Synonym: 2-chloromethyl-1,3-benzothiazole,2-chloromethyl benzothiazole,2-chloromethyl benzo d thiazole,benzothiazole, 2-chloromethyl,2-chloromethylbenzothiazole,2-chloromethyl-benzothiazole,2-chloromethylbenzthiazole,acmc-1ag8v,ksc776s1l,2-chloromethylbenzo d thiazole PubChem CID: 304978 IUPAC Name: 2-(chloromethyl)-1,3-benzothiazole SMILES: ClCC1=NC2=CC=CC=C2S1

PubChem CID 304978
CAS 37859-43-1
Molecular Weight (g/mol) 183.65
MDL Number MFCD05664944
SMILES ClCC1=NC2=CC=CC=C2S1
Synonym 2-chloromethyl-1,3-benzothiazole,2-chloromethyl benzothiazole,2-chloromethyl benzo d thiazole,benzothiazole, 2-chloromethyl,2-chloromethylbenzothiazole,2-chloromethyl-benzothiazole,2-chloromethylbenzthiazole,acmc-1ag8v,ksc776s1l,2-chloromethylbenzo d thiazole
IUPAC Name 2-(chloromethyl)-1,3-benzothiazole
InChI Key SERUZNHRWBXDOX-UHFFFAOYSA-N
Molecular Formula C8H6ClNS
9

2-Chlorobutane, 99+%

CAS: 78-86-4 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 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

PubChem CID 6563
CAS 78-86-4
Molecular Weight (g/mol) 92.57
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
10

5-(Chloromethyl)-2-thien-2-ylpyrimidine, 97%, Thermo Scientific™

CAS: 926921-78-0 Molecular Formula: C9H7ClN2S Molecular Weight (g/mol): 210.68 MDL Number: MFCD09879950 InChI Key: HBGUDWOIHDHRCQ-UHFFFAOYSA-N Synonym: 5-chloromethyl-2-thien-2-ylpyrimidine,5-chloromethyl-2-thiophen-2-yl pyrimidine,2-5-chloromethyl pyrimidin-2-yl thiophene,5-chloromethyl-2-thiophen-2-ylpyrimidine PubChem CID: 24229732 IUPAC Name: 5-(chloromethyl)-2-thiophen-2-ylpyrimidine SMILES: ClCC1=CN=C(N=C1)C1=CC=CS1

PubChem CID 24229732
CAS 926921-78-0
Molecular Weight (g/mol) 210.68
MDL Number MFCD09879950
SMILES ClCC1=CN=C(N=C1)C1=CC=CS1
Synonym 5-chloromethyl-2-thien-2-ylpyrimidine,5-chloromethyl-2-thiophen-2-yl pyrimidine,2-5-chloromethyl pyrimidin-2-yl thiophene,5-chloromethyl-2-thiophen-2-ylpyrimidine
IUPAC Name 5-(chloromethyl)-2-thiophen-2-ylpyrimidine
InChI Key HBGUDWOIHDHRCQ-UHFFFAOYSA-N
Molecular Formula C9H7ClN2S
11

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 IUPAC Name: 2-chloroethanamine;hydrochloride SMILES: [Cl-].[NH3+]CCCl

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
IUPAC Name 2-chloroethanamine;hydrochloride
InChI Key ONRREFWJTRBDRA-UHFFFAOYSA-N
Molecular Formula C2H7Cl2N
12

1-Bromo-2-chloroethane, 98%

CAS: 107-04-0 Molecular Formula: C2H4BrCl Molecular Weight (g/mol): 143.408 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

PubChem CID 7849
CAS 107-04-0
Molecular Weight (g/mol) 143.408
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
13

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

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
14

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

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
15

5-Chloro-2-pentanone, 94%

CAS: 5891-21-4 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.576 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

PubChem CID 79993
CAS 5891-21-4
Molecular Weight (g/mol) 120.576
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