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CAS No.: | 134168-97-1 |
---|---|
Name: | 3-Fluoro-5-bromoaniline |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H5BrFN |
Molecular Weight: | 190.015 |
Synonyms: | 3-Bromo-5-fluorobenzenamine; |
Density: | 1.695 g/cm3 |
Boiling Point: | 245.466 °C at 760 mmHg |
Flash Point: | 102.255 °C |
PSA: | 26.02000 |
LogP: | 2.75160 |
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The Benzenamine, 3-bromo-5-fluoro-, with the CAS registry number 134168-97-1, is also known as 3-Bromo-5-fluorobenzenamine. This chemical's molecular formula is C6H5BrFN and molecular weight is 190.01. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-5-fluoroaniline.
Physical properties about Benzenamine, 3-bromo-5-fluoro- are: (1)ACD/LogP: 2.286; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.15; (6)ACD/BCF (pH 7.4): 32.18; (7)ACD/KOC (pH 5.5): 417.18; (8)ACD/KOC (pH 7.4): 417.60; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 38.173 cm3; (15)Molar Volume: 112.108 cm3; (16)Polarizability: 15.133×10-24cm3; (17)Surface Tension: 45.227 dyne/cm; (18)Density: 1.695 g/cm3; (19)Flash Point: 102.255 °C; (20)Enthalpy of Vaporization: 48.255 kJ/mol; (21)Boiling Point: 245.466 °C at 760 mmHg; (22)Vapour Pressure: 0.029 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(Br)cc(N)c1
(2) InChI: InChI=1S/C6H5BrFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
(3) InChIKey: NGZAVSDIXFIWHJ-UHFFFAOYSA-N