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Details

Stereochemistry ACHIRAL
Molecular Formula C8H17Cl
Molecular Weight 148.674
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-CHLOROOCTANE

SMILES

CCCCCCCCCl

InChI

InChIKey=CNDHHGUSRIZDSL-UHFFFAOYSA-N
InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H17Cl
Molecular Weight 148.674
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Palladium(II)-catalyzed oxidation of aldehydes and ketones. 1. Carbonylation of ketones with carbon monoxide catalyzed by palladium(II) chloride in methanol.
2001 Jan 12
Characterization of infrared and near-infrared absorptions of free alcoholic OH groups in hydrocarbon.
2004 Aug
Aqueous solubility, Henry's law constants and air/water partition coefficients of n-octane and two halogenated octanes.
2004 Dec
Phase behavior and microstructure of C12E5 nonionic microemulsions with chlorinated oils.
2008 Apr 1
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:28 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:28 GMT 2023
Record UNII
E1047328LO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-CHLOROOCTANE
HSDB  
Systematic Name English
N-OCTYL CHLORIDE
Common Name English
OCTYL CHLORIDE
Systematic Name English
CAPRYL CHLORIDE
Common Name English
1-CHLOROOCTANE [HSDB]
Common Name English
NSC-5406
Code English
OCTANE, 1-CHLORO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0021543
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY
NSC
5406
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY
FDA UNII
E1047328LO
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY
PUBCHEM
8142
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY
CAS
111-85-3
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
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HSDB
5551
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-915-5
Created by admin on Fri Dec 15 18:07:28 GMT 2023 , Edited by admin on Fri Dec 15 18:07:28 GMT 2023
PRIMARY