2,4-dibromo-6-fluoroaniline

• ChemBase ID: 15472
• Molecular Formular: C6H4Br2FN
• Molecular Mass: 268.9090632
• Monoisotopic Mass: 266.86945135
• SMILES: c1c(cc(c(c1F)N)Br)Br
• Canonical SMILES: Brc1cc(F)c(c(c1)Br)N
• InChI: InChI=1S/C6H4Br2FN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
• InChIKey: YJLXEKFYZIBUPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-fluoroaniline
• IUPAC Traditional name: 2,4-dibromo-6-fluoroaniline
• Synonyms: 2,4-Dibromo-6-fluoroaniline; 2,4-Dibromo-6-fluoroaniline 98%; 2,4-Dibromo-6-fluoroaniline; 2,4-二溴-6-氟苯胺

Database IDs

• CAS Number: 141474-37-5
• MDL Number: MFCD00042230
• Beilstein Number: 6289292
• PubChem SID: 160978779
• PubChem CID: 2736765

CALCULATED PROPERTIES

• Acid pKa: 16.605637
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.824514
• LogD (pH = 7.4): 2.8245268
• Log P: 2.824527
• Molar Refractivity: 46.2204 cm^3
• Polarizability: 17.302828 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64°C; 62-64°C

Safety Information

• Storage Warning: IRRITANT, TOXIC; Toxic
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%