2-Bromo-4-chloro-6-fluoroaniline

Base Information

• Chemical Name: 2-Bromo-4-chloro-6-fluoroaniline
• CAS No.: 195191-47-0
• Molecular Formula: C₆H₄BrClFN
• Molecular Weight: 224.46
• Hs Code.: 29214200
• DSSTox Substance ID: DTXSID50371212
• Nikkaji Number: J2.644.945F
• Wikidata: Q72452587
• Mol file: 195191-47-0.mol

Synonyms:2-Bromo-4-chloro-6-fluoroaniline;195191-47-0;6-Bromo-4-chloro-2-fluoroaniline;2-Amino-1-bromo-5-chloro-3-fluorobenzene;2-Fluoro-4-Chloro-6-Bromoaniline;Benzenamine, 2-bromo-4-chloro-6-fluoro-;MFCD00070746;SCHEMBL1639839;DTXSID50371212;HBHBARSMRVAINH-UHFFFAOYSA-N;2-bromo-4-chloro-6-fluorobenzenamine;AKOS005257539;2-bromo-4-chloro-6-fluoro-phenylamine;GS-3637;SB79597;2-Bromo-4-chloro-6-fluoroaniline, 98%;SY050610;A4287;B2723;CS-0103699;FT-0612037;EN300-204388;J-509397;Z1269112636;InChI=1/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H

Chemical Property of 2-Bromo-4-chloro-6-fluoroaniline

Chemical Property:

• Appearance/Colour: pink to brown solid
• Vapor Pressure: 0.033mmHg at 25°C
• Melting Point: 41-43 ºC
• Boiling Point: 243°Cat760mmHg
• PKA: 0.51±0.10(Predicted)
• Flash Point: 230 ºC
• PSA: 26.02000
• Density: 1.809g/cm³
• LogP: 3.40500
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.91997
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-4-chloro-6-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-24/25

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)N)Br)Cl
• Uses: 2-Bromo-4-chloro-6-fluoroaniline may be used in the preparation of fragment A of an orally bioavailable and CNS penetrant bradykinin1antagonist.