2,6-dichloro-3-(trifluoromethyl)benzoyl chloride

• ChemBase ID: 296658
• Molecular Formular: C8H2Cl3F3O
• Molecular Mass: 277.4550896
• Monoisotopic Mass: 275.91233238
• SMILES: c1cc(c(c(c1C(F)(F)F)Cl)C(=O)Cl)Cl
• Canonical SMILES: ClC(=O)c1c(Cl)ccc(c1Cl)C(F)(F)F
• InChI: InChI=1S/C8H2Cl3F3O/c9-4-2-1-3(8(12,13)14)6(10)5(4)7(11)15/h1-2H
• InChIKey: GDYRVUKFWOCVKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-(trifluoromethyl)benzoyl chloride
• IUPAC Traditional name: 2,6-dichloro-3-(trifluoromethyl)benzoyl chloride
• Synonyms: 2,6-Dichloro-3-(trifluoromethyl)benzoyl chloride, JRD; 2,6-二氯-3-(三氟甲基)苯甲酰氯, JRD

Database IDs

• MDL Number: MFCD11519345
• PubChem SID: 180682189
• PubChem CID: 57361562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2500963
• LogD (pH = 7.4): 4.2500963
• Log P: 4.2500963
• Molar Refractivity: 52.756 cm^3
• Polarizability: 19.51346 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

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%