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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9Cl
Molecular Weight 140.61
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL CHLORIDE

SMILES

ClCCC1=CC=CC=C1

InChI

InChIKey=MNNZINNZIQVULG-UHFFFAOYSA-N
InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

HIDE SMILES / InChI

Molecular Formula C8H9Cl
Molecular Weight 140.61
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The mechanism of 1,4 alkyl group migration in hypervalent halonium ylides: the stereochemical course.
2008-06-18
Resonant two-photon ionization and ab initio conformational analysis of haloethyl benzenes (PhCH(2)CH(2)X,X=Cl,F).
2007-10-07
Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand.
2004-06-07
Intervention of phenonium ion in Ritter reactions.
2004-01-23
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:15:10 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:10 GMT 2025
Record UNII
C7T86VN1QZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL CHLORIDE
Systematic Name English
NSC-27886
Preferred Name English
CHLOROETHYL)BENZENE, (2-
Common Name English
(2-CHLOROETHYL)BENZENE
Systematic Name English
(.BETA.-CHLOROETHYL)BENZENE
Systematic Name English
PHENYLETHYL CHLORIDE
Systematic Name English
BENZENE, (2-CHLOROETHYL)-
Systematic Name English
2-PHENYL-1-CHLOROETHANE
Systematic Name English
1-CHLORO-2-PHENYLETHANE
Systematic Name English
.BETA.-PHENYLETHYL CHLORIDE
Systematic Name English
2-PHENYLETHYL CHLORIDE
Systematic Name English
BENZENE, (.BETA.-CHLOROETHYL)-
Systematic Name English
.BETA.-PHENETHYL CHLORIDE
Systematic Name English
Code System Code Type Description
NSC
27886
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY
CAS
622-24-2
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY
PUBCHEM
231496
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID3060748
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-725-6
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY
FDA UNII
C7T86VN1QZ
Created by admin on Mon Mar 31 19:15:10 GMT 2025 , Edited by admin on Mon Mar 31 19:15:10 GMT 2025
PRIMARY