CAS No.77771-03-0,3-Bromo-4-fluorobenzylamine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77771-03-0
Name:	3-Bromo-4-fluorobenzylamine hydrochloride
Article Data:	13

Formula:	C₇H₇BrFN^.HCl
Molecular Weight:	205.026
Synonyms:	3-Bromo-4-fluorobenzylamine hydrochloride;Benzenemethanamine, 3-bromo-4-fluoro-, hydrochloride (1:1);3-Bromo-4-fluorobenzylamine HCl;
Density:	1.658±0.06 g/cm3(Predicted)
Melting Point:	214-218 °C
Boiling Point:	250.5 °C at 760 mmHg
Flash Point:	105.3 °C
Solubility:	soluble in water
Appearance:	yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-24/25
PSA:	26.02000
LogP:	3.54920

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Specification

The systematic name of 3-Bromo-4-fluorobenzylamine hydrochloride is 1-(3-bromo-4-fluorophenyl)methanamine hydrochloride. With the CAS registry number 77771-03-0, it is also named as Benzenemethanamine, 3-bromo-4-fluoro-, hydrochloride (1:1). The product's categories are Benzhydrols, Benzyl & Special Alcohols; Anilines, Aromatic Amines and Nitro Compounds; Alcohols; Bromine Compounds; Fluorine Compounds; Anilines, Amides & Amines. Besides, it is yellow powder, which is soluble in water. In addition, its molecular formula is C₇H₇BrFN^.HCl and molecular weight is 240.50.

The other characteristics of 3-Bromo-4-fluorobenzylamine hydrochloride can be summarized as: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.54; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 105.3 °C; (14)Melting Point: 214-218 °C; (15)Enthalpy of Vaporization: 48.78 kJ/mol; (16)Boiling Point: 250.5 °C at 760 mmHg; (17)Vapour Pressure: 0.0216 mmHg at 25 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc(cc1Br)CN.Cl
(2)InChI: InChI=1/C7H7BrFN.ClH/c8-6-3-5(4-10)1-2-7(6)9;/h1-3H,4,10H2;1H
(3)InChIKey: RSFNYNQGERWCMT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H7BrFN.ClH/c8-6-3-5(4-10)1-2-7(6)9;/h1-3H,4,10H2;1H
(5)Std. InChIKey: RSFNYNQGERWCMT-UHFFFAOYSA-N