CAS 18511-62-1 2-(4-Fluorophenyl)oxirane (HCID 4065230)

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Basic information

CAS: 18511-62-1
Standard SMILES: Fc1ccc(C2CO2)cc1
InChIKey: ICVNPQMUUHPPOK-UHFFFAOYSA-N
Molecular formula: C8H7FO
Average molar mass: 138.14 g/mol
Monoisotopic mass: 138.04809306

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)oxirane
IUPAC: 2-(4-fluorophenyl)oxirane
English name: 2-(4-FLUOROPHENYL)OXIRANE
Molecular formula: C8H7FO
Molecular weight: 138.14

Names & synonyms

2-(4-Fluorophenyl)oxirane18511-62-1DTXSID90398943RefChem:84409DTXCID20349802606-046-3MFCD00043994Oxirane, (4-fluorophenyl)-4-Fluorostyrene oxide2-(4-fluorophenyl)-oxiraneSCHEMBL9373562-(4-fluoro-phenyl)-oxirane

Show more names

2-(P-FLUOROPHENYL)OXIRANE(±)-4-Fluorostyrene oxideOxirane, 2-(4-fluorophenyl)-2-(4-Fluorophenyl)oxirane 95%

(+/-)-4-Fluorostyrene oxide2-(4-Fluorophenyl)oxirane, 95%AKOS000200608AKOS016843674NCGC00665610-01AS-75683SY102068DB-042232

Database identifiers

CAS: 18511-62-1
PubChem CID: 4065230
DTXSID: DTXSID90398943
EC Number: 606-046-3
Nikkaji: J775.723I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

Boiling point: 92 °C/14 · 92 °C/14 mmHg (lit.)
Density: 1.167 g/mL · 1.167 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.508(lit.)
Flash point: 72 °F · 72 °F
storage temp.: 2 · 2-8°C, protect from light
solubility: Difficult to mix.
Specific Gravity: 1.167 · 1.167
Appearance: Colorless to light yellow Liquid
InChI: 1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKey: ICVNPQMUUHPPOK-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C2CO2
CAS DataBase Reference: 18511 · 18511-62-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (91.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 CategoriesFlam. Liq. 2 (91.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29109000
risk_code: 10
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 16-24/25
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225
Hazard Classifications: Flam. Liq. 2
Precautionary statements: P210

Chemistry & industry

Applications

Uses(+/-)-4-Fluorostyrene oxide used in chemicals, pharmaceutical intermediates. It is also used in organic chemistry that has also many industrial applications, biotransformation