1-fluoro-4-(prop-1-en-2-yl)benzene

• ChemBase ID: 97052
• Molecular Formular: C9H9F
• Molecular Mass: 136.1661632
• Monoisotopic Mass: 136.06882851
• SMILES: Fc1ccc(cc1)C(=C)C
• Canonical SMILES: CC(=C)c1ccc(cc1)F
• InChI: InChI=1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
• InChIKey: VIXHMBLBLJSGIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(prop-1-en-2-yl)benzene
• IUPAC Traditional name: 1-fluoro-4-(prop-1-en-2-yl)benzene
• Synonyms: 4-Ffluoro-alpha-methylstyrene; 2-(4-Fluorophenyl)prop-1-ene; 4-Fluoro-alpha-methylstyrene 97%; 4-Fluoro-alpha-methylstyrene; 4-氟-α-甲基苯乙烯

Database IDs

• CAS Number: 350-40-3
• EC Number: 206-501-2
• MDL Number: MFCD00042297
• Beilstein Number: 2039696
• PubChem SID: 162083679
• PubChem CID: 67690

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1520445
• LogD (pH = 7.4): 3.1520445
• Log P: 3.1520445
• Molar Refractivity: 40.2427 cm^3
• Polarizability: 15.332715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 183°C
• Flash Point: 53°C; 53°C(127°F)
• Density: 1.009
• Refractive Index: 1.511; 1.5110

Safety Information

• Storage Warning: Flammable/Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%