CAS No.659-41-6,4-FLUORO BENZYLAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	659-41-6
Name:	4-FLUORO BENZYLAMINE HYDROCHLORIDE
Article Data:	38

Formula:	C₇H₉ClFN
Molecular Weight:	161.607
Synonyms:	Benzenemethanamine,4-fluoro-, hydrochloride (9CI);Benzylamine, p-fluoro-, hydrochloride(7CI,8CI);4-Fluorobenzylamine hydrochloride;p-Fluorobenzylamine hydrochloride;
EINECS:	211-534-0
Melting Point:	265-268 °C(Solv: ethanol (64-17-5))
Boiling Point:	184.3 °C at 760 mmHg
Flash Point:	73.3 °C
Solubility:	Soluble in water
PSA:	26.02000
LogP:	2.78670

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Specification

The CAS register number of Benzenemethanamine,4-fluoro-, hydrochloride (1:1) is 659-41-6. It also can be called as 4-Fluorobenzylamine hydrochloride and the systematic name about this chemical is 1-(4-fluorophenyl)methanamine hydrochloride. The molecular formula about this chemical is C₇H₉ClFN and the molecular weight is 161.6. It belongs to the following product categories which include Anilines, Amides & Amines; Fluorine Compounds and so on.

Physical properties about Benzenemethanamine,4-fluoro-, hydrochloride (1:1) are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): -1.88; (3)ACD/LogD (pH 7.4): -0.75; (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): 1.28; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Flash Point: 73.3 °C; (13)Enthalpy of Vaporization: 42.05 kJ/mol; (14)Boiling Point: 184.3 °C at 760 mmHg; (15)Vapour Pressure: 0.738 mmHg at 25 °C.

Uses of Benzenemethanamine,4-fluoro-, hydrochloride (1:1): it can be used to produce 3,7-dimethyl-9-p-fluorobenzylamino-3,7-diazabicyclo[3.3.1]nonane-9-carbonitrile with 3,7-dimethyl-3,7-diaza-bicyclo[3.3.1]nonan-9-one and hydrocyanic acid; potassium salt. This reaction will need reagent of H2O and methanol. The reaction time is 3 days with ambient temperature. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CN.Cl
(2)InChI: InChI=1/C7H8FN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
(3)InChIKey: TXMNQIDABVFSRY-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H8FN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
(5)Std. InChIKey: TXMNQIDABVFSRY-UHFFFAOYSA-N