o-Chlorophenethylic alcohol

HCID 88266

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 19819-95-5
Standard SMILES: OCCc1ccccc1Cl
InChIKey: IWNHTCBFRSCBQK-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

Overview

2-Chlorophenethyl alcohol is an organochlorine compound.

Names & identifiers

Preferred name: o-Chlorophenethylic alcohol
IUPAC: 2-(2-chlorophenyl)ethanol
English name: 2-Chlorophenethylalcohol
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

19819-95-5o-Chlorophenethylic alcohol2-ChlorobenzeneethanolEINECS 243-348-0DTXSID40173540RefChem:855219DTXCID8096031243-348-02-(2-Chlorophenyl)ethanol2-Chlorophenethyl alcoholBenzeneethanol, 2-chloro-2-(2-Chlorophenyl)Ethan-1-Ol

Show more names

2-Chlorophenethanol2-chlorophenethylalchol2-(2-Chlorophenyl)etnanol2-(O-CHLOROPHENYL)ETHANOL2-Chlorophenethylalcohol,98%

o-Chlorophenethyl alcoholMFCD00002888o-Chlorophenylmethylcarbinolchlorobenzene-ethanol2-Chloro-benzeneethanol2-(2-chloro-phenyl)-ethanolIWNHTCBFRSCBQK-UHFFFAOYSA-2-Chlorophenethylalcohol

Database identifiers

CAS: 19819-95-5
PubChem CID: 88266
DTXSID: DTXSID40173540
ChEBI: CHEBI:194660
UNII: 3JVZ9G2VBD
EC Number: 243-348-0
Nikkaji: J290I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 84 · 84-85 °C/3 mmHg (lit.)
Density: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.551(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: 14.72 · 14.72±0.10(Predicted)
Specific Gravity: 1.19 · 1.19
color: Clear colorless
InChI: InChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey: IWNHTCBFRSCBQK-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1Cl
FDA UNII: 3 JVZ9G2VBD · 3JVZ9G2VBD
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29052900 · 29052900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29052900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313