2-Bromo-5-chloro-4-fluoroaniline supplier

Name
2-Bromo-5-chloro-4-fluoroaniline
EINECS
CAS No. 85462-59-5
Article Data5
CAS DataBase
Density 1.809 g/cm³
Solubility
Melting Point
Formula C₆H₄BrClFN
Boiling Point 272.5 °C at 760 mmHg
Molecular Weight 224.46
Flash Point 118.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-5-chloro-4-fluoroaniline;
PSA 26.02000
LogP 3.40500

2-Bromo-5-chloro-4-fluoroaniline Specification

The IUPAC name of 2-Bromo-5-chloro-4-fluoroaniline is 2-bromo-5-chloro-4-fluoroaniline. With the CAS registry number 85462-59-5, it is also named as Benzenamine,2-bromo-5-chloro-4-fluoro-. In addition, its molecular formula is C₆H₄BrClFN and formula weight is 224.46.

The other characteristics of 2-Bromo-5-chloro-4-fluoroaniline can be summarized as: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 197.51; (6)ACD/BCF (pH 7.4): 197.53; (7)ACD/KOC (pH 5.5): 1530.32; (8)ACD/KOC (pH 7.4): 1530.48; (9)H bond acceptors: 1; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 43.06 cm³; (14)Molar Volume: 124 cm³; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.809 g/cm³; (17)Flash Point: 118.6 °C; (18)Enthalpy of Vaporization: 51.08 kJ/mol; (19)Boiling Point: 272.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00605 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1c(F)cc(Br)c(N)c1CopyCopied
(2)InChI:InChI=1/C6H4BrClFN/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,10H2
(3)InChIKey:QNKQNJJCNWUOHC-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C6H4BrClFN/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,10H2
(5)Std. InChIKey:QNKQNJJCNWUOHC-UHFFFAOYSA-N

Product Name

2-Bromo-5-chloro-4-fluoroaniline

2-Bromo-5-chloro-4-fluoroaniline Specification

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