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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9ClO2
Molecular Weight 172.609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-CHLOROPHENOXY)ETHANOL

SMILES

OCCOC1=CC=C(Cl)C=C1

InChI

InChIKey=GEGSSUSEWOHAFE-UHFFFAOYSA-N
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2

HIDE SMILES / InChI

Molecular Formula C8H9ClO2
Molecular Weight 172.609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

2-(4-Chlorophenyl)ethanol is used as a pharmaceutical intermediate. It toxicity properties has been investigated both in rats after oral use and on rabbits after skin penetration.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Range-finding toxicity data: List VI.
1962 Mar-Apr
Patents

Sample Use Guides

toxicity in rats: single oral, LD50 = 2.83 mg/kg toxicity in rabbits: single skin penetration, LD50 = 0.50 mL/kg
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:16 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:16 GMT 2023
Record UNII
Q73I5T98DA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-CHLOROPHENOXY)ETHANOL
Systematic Name English
4-(2-HYDROXYETHOXY)CHLOROBENZENE
Systematic Name English
ETHANOL, 2-(4-CHLOROPHENOXY)-
Systematic Name English
CHLOROPHETANOL
Common Name English
FUNGISAN
Brand Name English
P-CHLOROPHENYL MONOGLYCOL ETHER
Common Name English
2-(4-CHLORPHENOXY)-ETHANOL
Common Name English
2-(4-chlorphenoxy)-ethanol [WHO-DD]
Common Name English
MYCOTETRACID
Common Name English
NSC-8133
Code English
.BETA.-(P-CHLOROPHENOXY)ETHANOL
Common Name English
CHLORO-P-PHENOXETOL
Common Name English
P-CHLOROPHENYL GLYCOL ETHER
Common Name English
ETHANOL, 2-(P-CHLOROPHENOXY)-
Common Name English
CHLOROPHENOXYETHANOL
Systematic Name English
2-(P-CHLOROPHENOXY)ETHANOL
Common Name English
Classification Tree Code System Code
WHO-ATC D01AE06
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
WHO-VATC QD01AE06
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL3707367
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
WIKIPEDIA
CHLOROPHETANOL
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
SMS_ID
300000044834
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
DRUG BANK
DB11368
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
FDA UNII
Q73I5T98DA
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
DRUG CENTRAL
4328
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID1062047
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-578-7
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
CAS
1892-43-9
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
PUBCHEM
15907
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
NSC
8133
Created by admin on Fri Dec 15 19:14:16 GMT 2023 , Edited by admin on Fri Dec 15 19:14:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY