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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Unknown
139,594

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

04877802
1
05025031
25
07208497
1

Sample Use Guides

In Vivo Use Guide
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
Record UNII
Q73I5T98DA
Record Status Validated (UNII)
Record Version
NIH
NCATS
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