U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8Cl2
Molecular Weight 127.012
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DICHLOROBUTANE

SMILES

ClCCCCCl

InChI

InChIKey=KJDRSWPQXHESDQ-UHFFFAOYSA-N
InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2

HIDE SMILES / InChI

Molecular Formula C4H8Cl2
Molecular Weight 127.012
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Metabolism and mutagenicity of source water contaminants 1,3-dichloropropane and 2,2-dichloropropane.
2004 Jan
Ion-transfer voltammetry at 1,6-dichlorohexane|water and 1,4-dichlorobutane|water interfaces.
2004 May 10
Recombination dynamics and hydrogen abstraction reactions of chlorine radicals in solution.
2005 May 19
1,4-Bis[2-(2-pyrid-yl)-1H-imidazol-1-yl]butane.
2008 Nov 13
Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of the Ci conformer of 1,4-dichlorobutane.
2008 Nov 15
Interfacial-energy-controlled deposition technique of microstructures using blade-coating.
2009 Nov 19
Butyl-trichlorido{2-[(diisopropyl-ammonio)-meth-yl]phen-yl}tin(IV) dichloro-methane monosolvate.
2010 Dec 11
Calyculins and related marine natural products as serine-threonine protein phosphatase PP1 and PP2A inhibitors and total syntheses of calyculin A, B, and C.
2010 Jan 21
1,4-Bis(pyrimidin-2-yl-sulfanyl)-butane.
2010 Oct 20
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:52:16 GMT 2023
Edited
by admin
on Fri Dec 15 17:52:16 GMT 2023
Record UNII
8326YNM2B3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DICHLOROBUTANE
Systematic Name English
BUTANE, 1,4-DICHLORO-
Systematic Name English
NSC-6288
Code English
Code System Code Type Description
EPA CompTox
DTXSID5021918
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
CAS
110-56-5
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
MESH
C534152
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-778-1
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
FDA UNII
8326YNM2B3
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
PUBCHEM
8059
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
WIKIPEDIA
Dichlorobutane
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY
NSC
6288
Created by admin on Fri Dec 15 17:52:16 GMT 2023 , Edited by admin on Fri Dec 15 17:52:16 GMT 2023
PRIMARY