3-chloro-2,4-difluorobenzoyl chloride

• ChemBase ID: 7046
• Molecular Formular: C7H2Cl2F2O
• Molecular Mass: 210.9929864
• Monoisotopic Mass: 209.94507648
• SMILES: c1c(c(c(c(c1)C(=O)Cl)F)Cl)F
• Canonical SMILES: ClC(=O)c1ccc(c(c1F)Cl)F
• InChI: InChI=1S/C7H2Cl2F2O/c8-5-4(10)2-1-3(6(5)11)7(9)12/h1-2H
• InChIKey: XGKKQSXUVHMKGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2,4-difluorobenzoyl chloride
• IUPAC Traditional name: 3-chloro-2,4-difluorobenzoyl chloride
• Synonyms: 3-Chloro-2,4-difluorobenzoyl chloride; 3-Chloro-2,4-difluorobenzoyl chloride; 3-氯-2,4-二氟苯甲酰氯

Database IDs

• CAS Number: 157373-00-7
• EC Number: 000-000-0
• MDL Number: MFCD01631463
• PubChem SID: 160970353
• PubChem CID: 2773538

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.053607
• LogD (pH = 7.4): 3.053607
• Log P: 3.053607
• Molar Refractivity: 42.4103 cm^3
• Polarizability: 15.734502 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5375

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• 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: 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%