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99725-13-0

Basic Information
CAS No.: 99725-13-0
Name: 5-Bromo-2-fluorobenzylamine hydrochloride
Article Data: 15
Molecular Structure:
Molecular Structure of 99725-13-0 (5-Bromo-2-fluorobenzylamine hydrochloride)
Formula: C7H7BrFN.HCl
Molecular Weight: 205.026
Synonyms: (5-Bromo-2-fluorophenyl)methanol;5-Bromo-2-fluorobenzyl alcohol;
Density: 1.658 g/cm3
Melting Point: 221-226 °C(lit.)
Boiling Point: 261.6 °C at 760 mmHg
Flash Point: 112 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 20.23000
LogP: 2.08050
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  • 5-Bromo-2-fluorobenzylamine hydrochloride

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  • (5-BroMo-2-fluorophenyl)Methanol

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    99725-13-0

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Specification

The 5-Bromo-2-fluorobenzylamine hydrochloride is an organic compound with the formula C7H7BrFN.HCl. The systematic name of this chemical is (5-bromo-2-fluorophenyl)methanol. With the CAS registry number 99725-13-0, it is also named as Benzenemethanol, 5-bromo-2-fluoro-. The product's categories are Fluorine Compounds; Anilines, Amides & Amines; Benzhydrols, Benzyl & Special Alcohols; Bromine Compounds.

Physical properties about 5-Bromo-2-fluorobenzylamine hydrochloride are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 13.56; (5)ACD/BCF (pH 7.4): 13.56; (6)ACD/KOC (pH 5.5): 225; (7)ACD/KOC (pH 7.4): 225; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 40.38 cm3; (14)Molar Volume: 123.6 cm3; (15)Polarizability: 16.01×10-24cm3; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.658 g/cm3; (18)Flash Point: 112 °C; (19)Enthalpy of Vaporization: 52.76 kJ/mol; (20)Boiling Point: 261.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00578 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(Br)cc1)CO
(2)InChI: InChI=1/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
(3)InChIKey: UOSBHJFKMGLWGX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
(5)Std. InChIKey: UOSBHJFKMGLWGX-UHFFFAOYSA-N