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CAS No.: | 111721-75-6 |
---|---|
Name: | 2-Bromo-3-fluoroaniline |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H5BrFN |
Molecular Weight: | 190.015 |
Synonyms: | 2-Bromo-3-fluorophenylamine; |
Density: | 1.695 g/cm3 |
Melting Point: | 32-34 °C |
Boiling Point: | 229.845 °C at 760 mmHg |
Flash Point: | 92.807 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful/Irritant; "> Xi:Harmful/Irritant; |
Safety: | 9-26-36/37-60 |
PSA: | 26.02000 |
LogP: | 2.75160 |
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The 2-Bromo-3-fluoroaniline is an organic compound with the formula C6H5BrFN. The IUPAC name of this chemical is 2-bromo-3-fluoroaniline. With the CAS registry number 111721-75-6, it is also named as Benzenamine, 2-bromo-3-fluoro-. The product's categories are Anilines, Aromatic Amines and Nitro Compounds; Aniline.
Physical properties about 2-Bromo-3-fluoroaniline are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 52; (5)ACD/BCF (pH 7.4): 52; (6)ACD/KOC (pH 5.5): 586; (7)ACD/KOC (pH 7.4): 586; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 38.173 cm3; (14)Molar Volume: 112.108 cm3; (15)Polarizability: 15.133×10-24cm3; (16)Surface Tension: 45.227 dyne/cm; (17)Density: 1.695 g/cm3; (18)Flash Point: 92.807 °C; (19)Enthalpy of Vaporization: 46.647 kJ/mol; (20)Boiling Point: 229.845 °C at 760 mmHg; (21)Vapour Pressure: 0.068 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(N)c1Br
(2)InChI: InChI=1/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
(3)InChIKey: XZRSXRUYZXBTGD-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
(5)Std. InChIKey: XZRSXRUYZXBTGD-UHFFFAOYSA-N