3,6-dichloro-2-fluorobenzoyl chloride

• ChemBase ID: 297071
• Molecular Formular: C7H2Cl3FO
• Molecular Mass: 227.4475832
• Monoisotopic Mass: 225.91552594
• SMILES: c1cc(c(c(c1Cl)C(=O)Cl)F)Cl
• Canonical SMILES: Clc1ccc(c(c1F)C(=O)Cl)Cl
• InChI: InChI=1S/C7H2Cl3FO/c8-3-1-2-4(9)6(11)5(3)7(10)12/h1-2H
• InChIKey: HJKPBFBHBLRYPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-2-fluorobenzoyl chloride
• IUPAC Traditional name: 3,6-dichloro-2-fluorobenzoyl chloride
• Synonyms: 3,6-Dichloro-2-fluorobenzoyl chloride; 3,6-二氯-2-氟苯甲酰氯, JRD

Database IDs

• MDL Number: MFCD09025383
• PubChem SID: 180682602
• PubChem CID: 46737549

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5149496
• LogD (pH = 7.4): 3.5149496
• Log P: 3.5149496
• Molar Refractivity: 46.9987 cm^3
• Polarizability: 17.840357 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5467

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%