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| CAS No.: | 456-14-4 |
|---|---|
| Name: | 4-Fluorobenzamidine hydrochloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H7FN2.HCl |
| Molecular Weight: | 174.605 |
| Synonyms: | 4-FLUORO-BENZAMIDINE HYDROCHLORIDE;4-FLUOROBENZAMIDINE HCL;4-fluorobenzimidamide hydrochloride;4-Fluoro-benzamidine hydrochloride ,95%;4-fluorobenzene-1-carboxiMidaMide hydrochloride;4-FluorobenzaMidine hydrochloride/2339-59-5 |
| Melting Point: | 209.0 to 213.0 °C |
| Boiling Point: | 243.6 °C at 760 mmHg |
| Flash Point: | 101.1 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 49.87000 |
| LogP: | 2.71180 |
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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