2,5-dichlorobenzoyl chloride

• ChemBase ID: 90287
• Molecular Formular: C7H3Cl3O
• Molecular Mass: 209.45712
• Monoisotopic Mass: 207.92494776
• SMILES: Clc1cc(c(cc1)Cl)C(=O)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)Cl)Cl
• InChI: InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
• InChIKey: RSINFFVFOTUDEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorobenzoyl chloride
• IUPAC Traditional name: 2,5-dichlorobenzoyl chloride
• Synonyms: 2,5-Dichlorobenzoyl chloride

Database IDs

• CAS Number: 2905-61-5
• MDL Number: MFCD00035821
• PubChem SID: 162077114
• PubChem CID: 17945

CALCULATED PROPERTIES

• Log P: 3.3722477
• Molar Refractivity: 46.7823 cm^3
• Polarizability: 17.969673 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3722477
• LogD (pH = 7.4): 3.3722477

PROPERTIES

Physical Property

• Boiling Point: 95°C/0.75mm

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon