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Benzenecarboximidamide,4-fluoro-, hydrochloride (1:1) (456-14-4)

Identification
Name:Benzenecarboximidamide,4-fluoro-, hydrochloride (1:1)
Synonyms:Benzamidine,p-fluoro-, hydrochloride (8CI); Benzenecarboximidamide, 4-fluoro-,monohydrochloride (9CI); 4-Fluorobenzamidine hydrochloride; p-Fluorobenzamidinemonohydrochloride
CAS:456-14-4
Molecular Formula: C7H7FN2.HCl
Molecular Weight: 174.6032
InChI: InChI=1/C7H7FN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
Molecular Structure: (C7H7FN2.HCl) Benzamidine,p-fluoro-, hydrochloride (8CI); Benzenecarboximidamide, 4-fluoro-,monohydrochloride (9CI...
Properties
Density:g/cm3
Specification:

The 4-Fluorobenzamidine hydrochloride, with the CAS registry number 456-14-4, has the systematic name and IUPAC name of 4-fluorobenzenecarboximidamide hydrochloride (1:1). It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C7H7FN2.HCl.

The characteristics of 4-Fluorobenzamidine hydrochloride are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.87 Å2 ; (11)Flash Point: 101.1 °C; (12)Enthalpy of Vaporization: 49.03 kJ/mol; (13)Boiling Point: 243.6 °C at 760 mmHg; (14)Vapour Pressure: 0.0255 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.N=C(N)c1ccc(F)cc1
(2)InChI: InChI=1/C7H7FN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
(3)InChIKey: JQDATBKJKUWNGA-UHFFFAOYAR

Safety Data