1-ethenyl-4-fluorobenzene

• ChemBase ID: 9842
• Molecular Formular: C8H7F
• Molecular Mass: 122.1395832
• Monoisotopic Mass: 122.05317844
• SMILES: c1c(ccc(c1)C=C)F
• Canonical SMILES: C=Cc1ccc(cc1)F
• InChI: InChI=1S/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
• InChIKey: JWVTWJNGILGLAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-fluorobenzene
• IUPAC Traditional name: benzene, 1-ethenyl-4-fluoro-
• Synonyms: 4-Fluorostyrene; 4-Fluorostyrene; 1-Fluoro-4-vinylbenzene; 4-Fluorostyrene 98%; 1-Fluoro-4-(2-nitrovinyl)benzene; 1-(4-Fluorophenyl)-2-nitroethylene; 4-Fluoro-beta-nitrostyrene 98%; p-FLUOROSTYRENE; 4-氟苯乙烯

Database IDs

• CAS Number: 405-99-2; 706-08-1
• EC Number: 206-975-0
• MDL Number: MFCD00000361; MFCD00024824
• Beilstein Number: 1634203
• PubChem SID: 160973149; 24849567
• PubChem CID: 67883

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: 13.489819 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-102°C; -36°C
• Boiling Point: 145-148°C; 145-148°C; 67 °C/50 mmHg(lit.); 67°C @ 50 mm Hg; 67°C/50mm
• Flash Point: 26°C; 26.6°C; 26°C(78°F); 35 °C; 95 °F
• Density: 1.02; 1.02 g/ml; 1.024; 1.024 g/mL at 25 °C(lit.)
• Refractive Index: 1.515; 1.5150; n20/D 1.514(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Flammable/Keep Cold; Harmful/Corrosive; KEEP COLD, FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10; 10-36/37/38; R:10
• Safety Statements: 23-24/25; 26-37; S:9-16
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: false; 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: 97+%, stab. with 0.1% 4-tert-butylcatechol; 99%
• Contains: tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4F

DETAILS

MP Biomedicals - 02158146

1 ml = approx. 1.02 g
Contains 0.1% p-t-butyl-catechol as stabilizer.

Apollo Scientific Ltd - PC4250

Inhibited with 4-tert-Butylcatechol

Sigma Aldrich - 155799

Packaging
1, 10 g in glass bottle