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

Details

Stereochemistry RACEMIC
Molecular Formula C8H17Cl
Molecular Weight 148.674
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLOROOCTANE

SMILES

CCCCCCC(C)Cl

InChI

InChIKey=HKDCIIMOALDWHF-UHFFFAOYSA-N
InChI=1S/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H17Cl
Molecular Weight 148.674
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:37:24 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:24 GMT 2023
Record UNII
0H8W4Y2ETW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLOROOCTANE
Systematic Name English
2-OCTYL CHLORIDE
Systematic Name English
1-METHYLHEPTYL CHLORIDE
Systematic Name English
OCTANE, 2-CHLORO-
Systematic Name English
NSC-5407
Code English
(±)-2-CHLOROOCTANE
Systematic Name English
Code System Code Type Description
PUBCHEM
12347
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-046-8
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
FDA UNII
0H8W4Y2ETW
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
NSC
5407
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID70870732
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
CAS
628-61-5
Created by admin on Sat Dec 16 09:37:24 GMT 2023 , Edited by admin on Sat Dec 16 09:37:24 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE