2,4-difluorobenzoyl chloride

• ChemBase ID: 9098
• Molecular Formular: C7H3ClF2O
• Molecular Mass: 176.5479264
• Monoisotopic Mass: 175.98404884
• SMILES: c1c(cc(c(c1)C(=O)Cl)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)C(=O)Cl
• InChI: InChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
• InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluorobenzoyl chloride
• IUPAC Traditional name: 2,4-difluorobenzoyl chloride
• Synonyms: 2,4-Difluorobenzoyl chloride 98%; 2,4-Difluorobenzoyl chloride; 2,4-Difluorobenzoyl chloride; 2,4-二氟苯甲酰氯

Database IDs

• CAS Number: 72482-64-5
• EC Number: 276-690-4
• MDL Number: MFCD00000658
• Beilstein Number: 4800566
• PubChem SID: 160972405; 24856062
• PubChem CID: 588081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4495623
• LogD (pH = 7.4): 2.4495623
• Log P: 2.4495623
• Molar Refractivity: 37.6055 cm^3
• Polarizability: 13.685668 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192°C; 96-98°C/15mm; 96-98°C/15mm
• Flash Point: 179.6 °F; 82 °C; 82°C; 82°C(179°F)
• Density: 1.437; 1.437 g/mL at 25 °C(lit.)
• Refractive Index: 1.513; 1.5145; 1.516; n20/D 1.5157(lit.)

Safety Information

• Storage Warning: Corrosive/Irritant/Lachrymatory/Moisture Sensitive/Store under Argon; LACHRYMATOR, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3094
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-36/37
• Safety Statements: 23-26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H227; H314-H335
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-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: 98%
• Linear Formula: F2C6H3COCl

DETAILS

Sigma Aldrich - 265292

Packaging
5, 25 g in glass bottle