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CAS No.: | 502496-24-4 |
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Name: | (5-BROMO-2-FLUORO-PHENYL)-HYDRAZINE HYDROCHLORIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H7BrClFN2 |
Molecular Weight: | 241.4886 |
Synonyms: | (5-bromo-2-fluorophenyl)hydrazine hydrochloride;hydrazine, (5-bromo-2-fluorophenyl)-, hydrochloride (1:1); |
Boiling Point: | 247 °C at 760 mmHg |
Flash Point: | 103.2 °C |
Hazard Symbols: | Xi |
PSA: | 38.05000 |
LogP: | 3.44910 |
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The 5-Bromo-2-fluorophenylhydrazine hydrochloride, with the CAS registry number 502496-24-4, has the systematic name of (5-bromo-2-fluorophenyl)hydrazine hydrochloride. It belongs to the product categories of Chemical Amines and Amines; Aromatics. And the molecular formula of the chemical is C6H7BrClFN2.
The characteristics of 5-Bromo-2-fluorophenylhydrazine hydrochloride are as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 33.34; (6)ACD/BCF (pH 7.4): 36.32; (7)ACD/KOC (pH 5.5): 417.84; (8)ACD/KOC (pH 7.4): 455.19; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 103.2 °C; (14)Enthalpy of Vaporization: 48.41 kJ/mol; (15)Boiling Point: 247 °C at 760 mmHg; (16)Vapour Pressure: 0.0263 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(NN)cc(Br)cc1.Cl
(2)InChI: InChI=1/C6H6BrFN2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
(3)InChIKey: SDCZMAWLMHZGMG-UHFFFAOYAG