(2R)-2-(3-fluorophenyl)oxirane

• ChemBase ID: 136208
• Molecular Formular: C8H7FO
• Molecular Mass: 138.1389832
• Monoisotopic Mass: 138.04809306
• SMILES: c1cc(cc(c1)F)[C@@H]1CO1
• Canonical SMILES: Fc1cccc(c1)[C@@H]1CO1
• InChI: InChI=1S/C8H7FO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
• InChIKey: HNBRZCKMGQHNJA-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(3-fluorophenyl)oxirane
• IUPAC Traditional name: (2R)-2-(3-fluorophenyl)oxirane
• Synonyms: (R)-3-Fluorostyrene oxide; (R)-(3-Fluorophenyl)oxirane

Database IDs

• CAS Number: 403501-35-9
• MDL Number: MFCD17171286
• Beilstein Number: 9694875
• PubChem SID: 162230479
• PubChem CID: 22882162

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8799666
• LogD (pH = 7.4): 1.8799666
• Log P: 1.8799666
• Molar Refractivity: 35.5427 cm^3
• Polarizability: 13.641691 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-21-36
• Safety Statements: 53-26-36/37-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H319-H350
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P308 + P313

Product Information

• Purity: ≥98.0%; ≥98.0% (GC)
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.0%
• Empirical Formula (Hill Notation): C8H7FO

DETAILS

Sigma Aldrich - 727253

Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE