2-(2-Fluorophenyl)ethan-1-ol

HCID 2733296CAS 50919-06-7

Substructure search Find similar structures

Basic information

Standard SMILES: OCCc1ccccc1F
InChIKey: HNIGZVZDWCTFPR-UHFFFAOYSA-N
Molecular formula: C8H9FO
Average molar mass: 140.15 g/mol
Monoisotopic mass: 140.06374313

Names & identifiers

Preferred name: 2-(2-Fluorophenyl)ethan-1-ol
IUPAC: 2-(2-fluorophenyl)ethanol
English name: 2-Fluorophenethyl alcohol
Molecular formula: C8H9FO
Molecular weight: 140.16

Names & synonyms

2-(2-fluorophenyl)ethan-1-olRefChem:453890670-569-32-(2-fluorophenyl)ethanol50919-06-72-Fluorophenethyl alcoholBenzeneethanol, 2-fluoro-MFCD00002887o-Fluorophenethyl alcoholSCHEMBL6252202-(2-Fluorophenyl)ethyl AlcoholDTXSID50369831

Show more names

2-Fluorobenzeneethanol2-(O-FLUOROPHENYL)ETHANOL2-fluoro-2-phenylethan-1-ol2-(2-Fluorophenyl)ethanol>2-Fluorophenethyl alcohol,99%2-Fluorophenethyl alcohol 99%

CS-W016461SY021828TS-01829F0778Z3975873822-fluorophenethylalcohol2-(2-fluoro-phenyl)-ethanolA24130

Database identifiers

CAS: 50919-06-7
PubChem CID: 2733296
DTXSID: DTXSID50369831
EC Number: 670-569-3
Nikkaji: J267.328B

Properties

Computed structural properties

XLogP: 1.6
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: 95.3

Physicochemical properties

Boiling point: 72 °C · 72°C 1mm
Density: 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.509(lit.)
Flash point: 209 °F · 209 °F
storage temp.: Sealed in dry,Room Temperature
pka: 14.68 · 14.68±0.10(Predicted)
form: Liquid
Specific Gravity: 1.045 · 1.045
color: Clear colorless
InChI: InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey: HNIGZVZDWCTFPR-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1F
CAS DataBase Reference: 50919 · 50919-06-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves
Hazard Codes: Xn,Xi,C
Risk Statements: 36 · 36/37/38-21/22-34
Safety Statements: 36 · 36/37/39-26-45-27-37-23
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 (25%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29062990
risk_code: 36/37/38-21/22-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi,C
safety_code: 36/37/39-26-45-27-37-23
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-(2-Fluorophenyl)ethanol is a useful synthetic intermediate. It is used to prepare phenethyl ester derivative analogs of the C-terminal tetrapeptide of gastrin as potent gastrin antagonists.