2-chloro-6-fluorobenzoyl chloride

• ChemBase ID: 7663
• Molecular Formular: C7H3Cl2FO
• Molecular Mass: 193.0025232
• Monoisotopic Mass: 191.9544983
• SMILES: c1(cccc(c1C(=O)Cl)Cl)F
• Canonical SMILES: ClC(=O)c1c(F)cccc1Cl
• InChI: InChI=1S/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
• InChIKey: GFNAJZAKJGKJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluorobenzoyl chloride
• IUPAC Traditional name: 2-chloro-6-fluorobenzoyl chloride
• Synonyms: 2-Chloro-6-fluorobenzoyl chloride; 2-Chloro-6-fluorobenzoyl chloride 97%; 2-Chloro-6-fluorobenzoyl chloride; 2-chloro-6-fluorobenzene-1-carbonyl chloride; 2-氯-6-氟苯甲酰氯

Database IDs

• CAS Number: 79455-63-3
• EC Number: 279-162-1
• MDL Number: MFCD00178746
• Beilstein Number: 4980867
• PubChem SID: 160970970
• PubChem CID: 2736547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.910905
• LogD (pH = 7.4): 2.910905
• Log P: 2.910905
• Molar Refractivity: 42.1939 cm^3
• Polarizability: 15.830199 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106-108°C/15mm
• Density: 1.43
• Refractive Index: 1.525; 1.5250

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%; 98%