6-bromo-2,3-difluorobenzaldehyde

• ChemBase ID: 296761
• Molecular Formular: C7H3BrF2O
• Molecular Mass: 220.9989264
• Monoisotopic Mass: 219.93353316
• SMILES: c1cc(c(c(c1F)F)C=O)Br
• Canonical SMILES: O=Cc1c(Br)ccc(c1F)F
• InChI: InChI=1S/C7H3BrF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
• InChIKey: LAVPYRPTHABUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-difluorobenzaldehyde
• IUPAC Traditional name: 6-bromo-2,3-difluorobenzaldehyde
• Synonyms: 6-Bromo-2,3-difluorobenzaldehyde; 6-BROMO-2,3-DIFLUOROBENZALDEHYDE; 6-溴-2,3-二氟苯甲醛

Database IDs

• CAS Number: 360576-04-1
• MDL Number: MFCD07368119
• PubChem SID: 180682292
• PubChem CID: 9877851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7399046
• LogD (pH = 7.4): 2.7399046
• Log P: 2.7399046
• Molar Refractivity: 40.6976 cm^3
• Polarizability: 14.849104 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-43°C

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: P280G-P305+P351+P338

Product Information

• Purity: 98%