fluorobenzene

• ChemBase ID: 9975
• Molecular Formular: C6H5F
• Molecular Mass: 96.1023032
• Monoisotopic Mass: 96.03752838
• SMILES: c1cccc(c1)F
• Canonical SMILES: Fc1ccccc1
• InChI: InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
• InChIKey: PYLWMHQQBFSUBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorobenzene
• IUPAC Traditional name: fluorobenzene
• Synonyms: Fluorobenzene; Fluorobenzene; Fluorobenzene 99%; Phenyl fluoride; Monofluorobenzene; 氟苯

Database IDs

• CAS Number: 462-06-6
• EC Number: 207-321-7
• MDL Number: MFCD00000280
• Beilstein Number: 1236623
• Merck Index: 144170
• PubChem SID: 160973282; 24873741; 24870353; 24894898; 24870354; 24870885
• PubChem CID: 10008
• CHEBI ID: 5115
• CHEMBL: 16070
• Chemspider ID: 9614
• KEGG ID: C11272
• Wikipedia Title: Fluorobenzene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1159477
• LogD (pH = 7.4): 2.1159477
• Log P: 2.1159477
• Molar Refractivity: 26.2744 cm^3
• Polarizability: 9.978279 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: low in water
• Apperance: Colorless liquid
• Melting Point: -42 °C(lit.); -42°C; -42°C; -44 °C
• Boiling Point: 84–85 °C; 84-85°C; 84-85°C; 85 °C(lit.); 85°C
• Flash Point: -12°C; -15 °C; -15°C(-5°F); 5 °F
• Density: 1.024; 1.024 g/mL at 25 °C(lit.); 1.025; 1.025 g/mL, liquid
• Refractive Index: 1.465; 1.4650; 1.4660; n20/D 1.465; n20/D 1.465(lit.)
• Vapor Density: 3.31 (vs air)

Safety Information

• Storage Warning: FLAMMABLE; Highly Flammable/Irritant
• RTECS: DA0800000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2387; UN2387
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36; 11-36-52/53; R:10; R36, R37, R38
• Safety Statements: 16-26-61; 9-16-23-26-33; S:9-16-29; S16, S26, S36
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  3

  1

  0
• GHS Hazard statements: H225-H319; H225-H319-H412
• GHS Precautionary statements: P210-P260-P243-P305+P351+P338-P403; P210-P273-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 2387 3/PG 2

Product Information

• Purity: ≥97.0% (GC); ≥99.5% (GC); ≥99.7% (GC); 99%
• Grade: analytical standard; puriss.; purum
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C6H5F

DETAILS

MP Biomedicals - 05203207

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3480

Alternative solvent to benzene which is less toxic.

Sigma Aldrich - F6001

Packaging
5, 100, 500 g in glass bottle