3-fluorobenzoyl chloride

• ChemBase ID: 7975
• Molecular Formular: C7H4ClFO
• Molecular Mass: 158.5574632
• Monoisotopic Mass: 157.99347065
• SMILES: c1cc(cc(c1)C(=O)Cl)F
• Canonical SMILES: Fc1cccc(c1)C(=O)Cl
• InChI: InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
• InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorobenzoyl chloride
• IUPAC Traditional name: benzoyl chloride, 3-fluoro-
• Synonyms: 3-Fluorobenzoyl chloride; 3-Fluorobenzoyl chloride 98%; 3-Fluorobenzoyl chloride; m-FLUOROBENZOYL CHLORIDE; 间氟苯甲酰氯; 3-氟苯甲酰氯

Database IDs

• CAS Number: 1711-07-5
• EC Number: 216-977-3
• MDL Number: MFCD00000670
• Beilstein Number: 636610
• PubChem SID: 160971282; 24870417; 24849988
• PubChem CID: 74376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3068602
• LogD (pH = 7.4): 2.3068602
• Log P: 2.3068602
• Molar Refractivity: 37.3891 cm^3
• Polarizability: 13.835769 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30 °C(lit.); -30°C; -30°C; -31 - -30°C
• Boiling Point: 188-189°C; 189 °C(lit.); 189°C
• Flash Point: 179.6 °F; 82 °C; 82°C; 82°C(179°F)
• Density: 1.304; 1.304 g/mL at 25 °C(lit.); 1.32; 1.320
• Refractive Index: 1.5285; n20/D 1.529; n20/D 1.529(lit.)
• Hydrophobicity(logP): 1.709

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon; LACHRYMATOR, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-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 3265 8/PG 2

Product Information

• Purity: ≥99.0% (GC); 95%; 97%; 98%
• Grade: purum
• Linear Formula: FC6H4COCl

DETAILS

MP Biomedicals - 05206170

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 162531

Packaging
5, 25 g in glass bottle