2,4-dibromo-6-fluorobenzaldehyde

• ChemBase ID: 93401
• Molecular Formular: C7H3Br2FO
• Molecular Mass: 281.9045232
• Monoisotopic Mass: 279.85346694
• SMILES: Brc1c(c(cc(c1)Br)F)C=O
• Canonical SMILES: O=Cc1c(F)cc(cc1Br)Br
• InChI: InChI=1S/C7H3Br2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
• InChIKey: NPIPUNOMXYMQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-fluorobenzaldehyde
• IUPAC Traditional name: 2,4-dibromo-6-fluorobenzaldehyde
• Synonyms: 2,4-Dibromo-6-fluorobenzaldehyde; 2,4-Dibromo-6-fluoro-benzaldehyde

Database IDs

• CAS Number: 205683-34-7
• MDL Number: MFCD03094089
• PubChem SID: 162080086
• PubChem CID: 2773967

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3659554
• LogD (pH = 7.4): 3.3659554
• Log P: 3.3659554
• Molar Refractivity: 48.104 cm^3
• Polarizability: 18.101604 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57-60°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%