CAS 7589-27-7 4-Fluorophenethyl Alcohol (HCID 82068)

Names & identifiers

Preferred name: 4-Fluorophenethyl Alcohol
IUPAC: 2-(4-fluorophenyl)ethanol
English name: 4-Fluorophenethyl alcohol
Molecular formula: C8H9FO
Molecular weight: 140.15

Names & synonyms

4-Fluorophenethyl alcohol2-(4-Fluorophenyl)ethanol7589-27-7Benzeneethanol, 4-fluoro-4-fluorophenylethanol2-(4-Fluorophenyl)Ethan-1-Ol4-Fluorophenethylic alcohol4-fluorobenzeneethanol1LO8D3EB0NAI3-36431MWUVGXCUHWKQJE-UHFFFAOYSA-EINECS 231-499-5

Show more names

uorophenethyL4-Fluorophenethyl alBenzeneethanol,4-fluoro-2-(4-Fuorophenyl)ethanol4-fluorophenethyl alcohl2-(P-FLUOROPHENYL)ETHANOL

2-[4-Fluorophenyl]ethanolDTXSID30226812RefChem:523448DTXCID60149303231-499-5InChI=1/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2MFCD00002898Phenethyl alcohol, p-fluoro-

Database identifiers

CAS: 7589-27-7
PubChem CID: 82068
DTXSID: DTXSID30226812
UNII: 1LO8D3EB0N
EC Number: 231-499-5
Nikkaji: J246A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point: 110 °C · 110°C 20mm
Density: 1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.507(lit.)
Flash point: 220 °F · 220 °F
storage temp.: Sealed in dry,Room Temperature
pka: 14.84 · 14.84±0.10(Predicted)
form: Liquid
Specific Gravity: 1.121 · 1.121
color: Clear colorless
BRN: 2354310 · 2354310
InChI: 1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey: MWUVGXCUHWKQJE-UHFFFAOYSA-N
SMILES: OCCc1ccc(F)cc1
CAS DataBase Reference: 7589 · 7589-27-7(CAS DataBase Reference)
FDA UNII: 1 LO8D3EB0N · 1LO8D3EB0N
NIST Chemistry Reference: 4 · Benzeneethanol, 4-fluoro-(7589-27-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 280 a-P305+P351+P338-P321-P332+P313-P337+P313-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 · P280a-P305+P351+P338-P321-P332+P313-P337+P313-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn,Xi,F,C
Risk Statements: 36 · 36/37/38-21/22-34
Safety Statements: 23 · 23-24/25-36/37/39-26-45-27
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29062990 · 29062990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29062990
risk_code: 36/37/38-21/22-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi,F,C
safety_code: 23-24/25-36/37/39-26-45-27
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319
Precautionary statements: P280a-P305+P351+P338-P321-P332+P313-P337+P313-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501