3-Bromo-5-fluorobenzenemethanamine supplier

Name
(3-bromo-5-fluorophenyl)methanamine
EINECS
CAS No. 1094555-68-6
Article Data29
CAS DataBase
Density 1.571 g/cm³
Solubility
Melting Point
Formula C₇H₇BrFN
Boiling Point 241.4 °C at 760 mmHg
Molecular Weight 204.042
Flash Point 99.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-fluorobenzyl amine;3-Bromo-5-fluorobenzenemethanamine;(3-bromo-5-fluorophenyl)methanamine;1-(3-bromo-5-fluorophenyl)methanamine;BENZENEMETHANAMINE, 3-BROMO-5-FLUORO-
PSA
LogP

3-Bromo-5-fluorobenzenemethanamine Specification

This chemical is called Benzenemethanamine,3-bromo-5-fluoro-, and its systematic name is 1-(3-Bromo-5-fluorophenyl)methanamine. With the molecular formula of C₇H₇BrFN, its molecular weight is 204.04. The CAS registry number of the chemical is 1094555-68-6.

Other characteristics of Benzenemethanamine,3-bromo-5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.11; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å²; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 42.38 cm³; (14)Molar Volume: 129.8 cm³; (15)Polarizability: 16.8×10^-24cm³; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.571 g/cm³; (18)Flash Point: 99.8 °C; (19)Enthalpy of Vaporization: 47.83 kJ/mol; (20)Boiling Point: 241.4 °C at 760 mmHg; (21)Vapour Pressure: 0.036 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(CN)cc(Br)c1
2.InChI: InChI=1/C7H7BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
3.InChIKey: MMFJAHRSPCTHBT-UHFFFAOYAS
4.Std. InChI: InChI=1S/C7H7BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
5.Std. InChIKey: MMFJAHRSPCTHBT-UHFFFAOYSA-N

Product Name

(3-bromo-5-fluorophenyl)methanamine

3-Bromo-5-fluorobenzenemethanamine Specification

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