1-ethenyl-3-fluorobenzene

• ChemBase ID: 97262
• Molecular Formular: C8H7F
• Molecular Mass: 122.1395832
• Monoisotopic Mass: 122.05317844
• SMILES: Fc1cccc(c1)C=C
• Canonical SMILES: C=Cc1cccc(c1)F
• InChI: InChI=1S/C8H7F/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
• InChIKey: ZJSKEGAHBAHFON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-3-fluorobenzene
• IUPAC Traditional name: 1-ethenyl-3-fluorobenzene
• Synonyms: 1-ethenyl-3-fluorobenzene; 3-Fluorostyrene; 1-Fluoro-3-vinylbenzene; 1-Ethenyl-3-fluorobenzene; 3-Fluorostyrene 98%; 3-Fluorostyrene; 1-Fluoro-3-vinylbenzene; 3-氟苯乙烯

Database IDs

• CAS Number: 350-51-6
• EC Number: 206-504-9
• MDL Number: MFCD00000341
• Beilstein Number: 2038488
• PubChem SID: 162083873; 24853128
• PubChem CID: 67691

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: 13.49041 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Boiling Point: 30-31 °C/4 mmHg(lit.); 31°C/4mm; 40-42°C/8mm
• Flash Point: 29 °C; 29°C; 29°C(84°F); 84.2 °F
• Density: 1.025; 1.025 g/mL at 25 °C(lit.)
• Refractive Index: 1.517; 1.5170; n20/D 1.517(lit.)
• Hydrophobicity(logP): 3.009

Safety Information

• Storage Warning: Flammable/Irritant/Keep Cold/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36; 10-36/37/38
• Safety Statements: 16-26-33; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H226-H319
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P305 + P351 + P338
• 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: >99%; 95%; 95+%; 97%, stab. with 0.1% 4-tert-butylcatechol
• Contains: 50 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4F

DETAILS

Apollo Scientific Ltd - PC4240

Stabilised with 0.01% 4-tert-Butylcatechol

Sigma Aldrich - 219452

Packaging
1, 5 g in ampule