2,3-dichlorobenzoyl chloride

• ChemBase ID: 89569
• Molecular Formular: C7H3Cl3O
• Molecular Mass: 209.45712
• Monoisotopic Mass: 207.92494776
• SMILES: O=C(c1c(c(ccc1)Cl)Cl)Cl
• Canonical SMILES: ClC(=O)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H
• InChIKey: YBONBWJSFMTXLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorobenzoyl chloride
• IUPAC Traditional name: benzoyl chloride, dichloro-
• Synonyms: 2,3-Dichlorobenzoyl chloride; 2,3-Dichlorobenzoyl chloride; 2,3-二氯苯甲酰氯

Database IDs

• CAS Number: 2905-60-4
• EC Number: 220-811-5
• MDL Number: MFCD00035937
• Beilstein Number: 2575973
• PubChem SID: 162076444
• PubChem CID: 17944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3722477
• LogD (pH = 7.4): 3.3722477
• Log P: 3.3722477
• Molar Refractivity: 46.7823 cm^3
• Polarizability: 17.999565 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-32°C; 28-32°C
• Boiling Point: 140°C/14mm; 140°C/14mm
• Flash Point: >110°C; 167°C(332°F)

Safety Information

• Storage Warning: Corrosive/Mositure Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 98%