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CAS No.: | 2339-59-5 |
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Name: | 4-FLUORO-BENZAMIDINE HCL H2O |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H7FN2 |
Molecular Weight: | 138.144 |
Synonyms: | p-Fluorobenzamidine;4-Fluorobenzamidine;4-Fluorobenzenecarboximidamide;Benzamidine,p-fluoro- (8CI); |
Density: | 1.22 g/cm3 |
Melting Point: | 97-100°C |
Boiling Point: | 203.5 °C at 760 mmHg |
Flash Point: | 76.9 °C |
PSA: | 59.10000 |
LogP: | 2.64750 |
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The CAS registry number of Benzenecarboximidamide,4-fluoro- is 2339-59-5. The IUPAC name is 4-fluorobenzenecarboximidamide. In addition, the molecular formula is C7H7FN2 and the molecular weight is 138.1423. It should be stored in a cool and dry place.
Physical properties about Benzenecarboximidamide,4-fluoro- are: (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: 15.6 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 35.95 cm3; (13)Molar Volume: 112.9 cm3; (14)Polarizability: 14.25 ×10-24cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 76.9 °C; (18)Enthalpy of Vaporization: 43.98 kJ/mol; (19)Boiling Point: 203.5 °C at 760 mmHg; (20)Vapour Pressure: 0.276 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(=[N@H])N)cc1
(2)InChI: InChI=1/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
(3)InChIKey: OSTGTIZRQZOYAH-UHFFFAOYAD