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| CAS No.: | 674793-32-9 |
|---|---|
| Name: | 5-chloro-2-fluorobenzamidine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H6ClFN2 |
| Molecular Weight: | 172.589 |
| Synonyms: | 5-chloro-2-fluorobenzamidine;5-chloro-2-fluorobenzimidamide;2-Fluoro-5-chlorobenzamidine;5-chloro-2-fluorobenzimidamide hydrochloride;BenzenecarboxiMidaMide, 5-chloro-2-fluoro- |
| Density: | 1.41g/cm3 |
| Boiling Point: | 255.197 °C at 760 mmHg |
| Flash Point: | 108.14 °C |
| PSA: | 49.87000 |
| LogP: | 2.56320 |
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- Total:18 Page 1 of 1 1
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Specification
The 5-Chloro-2-fluorobenzamidine, with the CAS registry number 674793-32-9, is also called benzenecarboximidamide, 5-chloro-2-fluoro-, or 2-Fluoro-5-chlorobenzamidine. And the molecular formula of the chemical is C7H6ClFN2.
The characteristics of 5-Chloro-2-fluorobenzamidine as followings: (1)ACD/LogP: 1.36; (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): 3; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.87 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 40.553 cm3; (13)Molar Volume: 122.379 cm3; (14)Polarizability: 16.076×10-24cm3; (15)Surface Tension: 42.879 dyne/cm; (16)Density: 1.41 g/cm3; (17)Flash Point: 108.14 °C; (18)Enthalpy of Vaporization: 49.266 kJ/mol; (19)Boiling Point: 255.197 °C at 760 mmHg; (20)Vapour Pressure: 0.017 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(Cl)cc1C(N)=N
(2)InChI: InChI=1/C7H6ClFN2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H3,10,11)
(3)InChIKey: SROQEVHFERCATR-UHFFFAOYAY