1-ethenyl-2-fluorobenzene

• ChemBase ID: 97253
• Molecular Formular: C8H7F
• Molecular Mass: 122.1395832
• Monoisotopic Mass: 122.05317844
• SMILES: Fc1c(cccc1)C=C
• Canonical SMILES: C=Cc1ccccc1F
• InChI: InChI=1S/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
• InChIKey: YNQXOOPPJWSXMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-2-fluorobenzene
• IUPAC Traditional name: 1-ethenyl-2-fluorobenzene
• Synonyms: 2-Fluorostyrene; 1-ethenyl-2-fluorobenzene; 2-Fluorostyrene; 1-Fluoro-2-vinylbenzene; 1-Ethenyl-2-fluorobenzene; 2-Fluorostyrene 99%; 2-氟苯乙烯

Database IDs

• CAS Number: 394-46-7
• EC Number: 206-896-1
• MDL Number: MFCD00013550
• Beilstein Number: 1925226
• PubChem SID: 162083864; 24857470
• PubChem CID: 123056

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.85265
• LogD (pH = 7.4): 2.85265
• Log P: 2.85265
• Molar Refractivity: 35.9607 cm^3
• Polarizability: 13.492242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 29-30 °C/4 mmHg(lit.); 29-30°C/4mm; 46°C/32mm
• Flash Point: 35 °C; 35°C; 35°C(95°F); 95 °F
• Density: 1.020; 1.025; 1.025 g/mL at 25 °C(lit.)
• Refractive Index: 1.52; 1.5200; n20/D 1.52(lit.)
• Hydrophobicity(logP): 3.009

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-36/37/38
• Safety Statements: 16-33; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 98%; 98%, stab. with 0.1% 4-tert-butylcatechol
• Contains: 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4F

DETAILS

Apollo Scientific Ltd - PC4230

Stabilised with 4-tert-butylcatechol

Sigma Aldrich - 290505

Packaging
5 g in glass bottle