benzoyl fluoride

• ChemBase ID: 8586
• Molecular Formular: C7H5FO
• Molecular Mass: 124.1124032
• Monoisotopic Mass: 124.032443
• SMILES: O=C(F)c1ccccc1
• Canonical SMILES: FC(=O)c1ccccc1
• InChI: InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
• InChIKey: HPMLGNIUXVXALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzoyl fluoride
• IUPAC Traditional name: benzoyl fluoride
• Synonyms: Benzoyl fluoride; Benzoyl fluoride; Benzoyl fluoride 99%; 苯甲酰氟; 苯酰氟

Database IDs

• CAS Number: 455-32-3
• EC Number: 207-244-9
• MDL Number: MFCD00000364
• Beilstein Number: 1904977
• PubChem SID: 160971893; 24848475
• PubChem CID: 67999

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8765692
• LogD (pH = 7.4): 1.8765692
• Log P: 1.8765692
• Molar Refractivity: 32.5377 cm^3
• Polarizability: 11.933502 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -28 °C(lit.); -28°C; ca -28°C
• Boiling Point: 159-161 °C(lit.); 159-161°C; 159-161°C
• Flash Point: 120.2 °F; 48°C(118°F); 49 °C; 49°C
• Density: 1.14; 1.14 g/mL at 25 °C(lit.); 1.140
• Refractive Index: 1.496; 1.4960; n20/D 1.496(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable/Lachrymatory/Moisture Sensitive/Store under Argon; LACHRYMATOR, FLAMMABLE, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2

Product Information

• Purity: 98%; 99%
• Linear Formula: C6H5COF

DETAILS

Apollo Scientific Ltd - PC1200

Mild fluorinating agent, J. Amer. Chem. Soc., 84, 2740, 1962. Packaged in FEP bottles

Sigma Aldrich - 140740

包装
5 g in glass bottle