2,3-dichloro-6-(trifluoromethyl)benzaldehyde

• ChemBase ID: 296334
• Molecular Formular: C8H3Cl2F3O
• Molecular Mass: 243.0100296
• Monoisotopic Mass: 241.95130474
• SMILES: c1cc(c(c(c1C(F)(F)F)C=O)Cl)Cl
• Canonical SMILES: O=Cc1c(Cl)c(Cl)ccc1C(F)(F)F
• InChI: InChI=1S/C8H3Cl2F3O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H
• InChIKey: QCYGNWQELPOXBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-(trifluoromethyl)benzaldehyde
• IUPAC Traditional name: 2,3-dichloro-6-(trifluoromethyl)benzaldehyde
• Synonyms: 2,3-Dichloro-6-(trifluoromethyl)benzaldehyde; 2,3-二氯-6-(三氟甲基)苯甲醛

Database IDs

• MDL Number: MFCD06660273
• PubChem SID: 180681865
• PubChem CID: 17750715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.771686
• LogD (pH = 7.4): 3.771686
• Log P: 3.771686
• Molar Refractivity: 48.2253 cm^3
• Polarizability: 17.509949 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5100

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%