2,3-dichloro-6-fluorobenzaldehyde

• ChemBase ID: 296248
• Molecular Formular: C7H3Cl2FO
• Molecular Mass: 193.0025232
• Monoisotopic Mass: 191.9544983
• SMILES: c1cc(c(c(c1F)C=O)Cl)Cl
• Canonical SMILES: O=Cc1c(F)ccc(c1Cl)Cl
• InChI: InChI=1S/C7H3Cl2FO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H
• InChIKey: BDPIHKOPKWGJCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-fluorobenzaldehyde
• IUPAC Traditional name: 2,3-dichloro-6-fluorobenzaldehyde
• Synonyms: 2,3-Dichloro-6-fluorobenzaldehyde; 2,3-二氯-6-氟苯甲醛

Database IDs

• EC Number: None
• MDL Number: MFCD04115870
• PubChem SID: 180681779
• PubChem CID: 3260062

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0365396
• LogD (pH = 7.4): 3.0365396
• Log P: 3.0365396
• Molar Refractivity: 42.468 cm^3
• Polarizability: 15.866476 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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%