4-bromo-2-fluoroaniline

• ChemBase ID: 6860
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: c1(c(cc(cc1)Br)F)N
• Canonical SMILES: Brc1ccc(c(c1)F)N
• InChI: InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-fluoroaniline
• IUPAC Traditional name: 4-bromo-2-fluoroaniline
• Synonyms: 4-Bromo-2-fluoroaniline; 4-Bromo-2-fluoroaniline 99%; 4-Bromo-2-fluoroaniline; 4-溴-2-氟苯胺

Database IDs

• CAS Number: 367-24-8
• EC Number: 206-685-4
• MDL Number: MFCD00010221
• Beilstein Number: 2081089
• PubChem SID: 24858353; 160970167
• PubChem CID: 123050

CALCULATED PROPERTIES

• Polarizability: 14.124957 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 18.98873
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0556662
• LogD (pH = 7.4): 2.055773
• Log P: 2.0557745
• Molar Refractivity: 38.5976 cm^3

PROPERTIES

Physical Property

• Melting Point: 38-42°C; 38-42°C; 40-42 °C; 40-42°C
• Boiling Point: 103-108°C/13mm; 103-108°C/13mm
• Flash Point: 104 °C; 104°C; 104°C(219°F); 219.2 °F

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%; 98+%; 99%
• Linear Formula: BrC6H3(F)NH2

DETAILS

Sigma Aldrich - 304220

Packaging
10, 50 g in glass bottle