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2,5-Difluorophenylhydrazine

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Name

2,5-Difluorophenylhydrazine

EINECS N/A
CAS No. 97108-50-4 Density 1.379 g/cm3
PSA 38.05000 LogP 2.02370
Solubility N/A Melting Point 75-76 °C(lit.)
Formula C6H6F2N2 Boiling Point 189.5 °C at 760 mmHg
Molecular Weight 144.124 Flash Point 68.4 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 97108-50-4 (2,5-DIFLUOROPHENYLHYDRAZINE) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

1-(2,5-Difluorophenyl)hydrazine;

Article Data 3

2,5-Difluorophenylhydrazine Specification

The Hydrazine,(2,5-difluorophenyl)-, hydrochloride (1:1), with the CAS registry number 97108-50-4, has the systematic name of (2,5-difluorophenyl)hydrazine. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Phenylhydrazine; Miscellaneous; Hydrazines; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C6H6F2N2.

The characteristics of Hydrazine,(2,5-difluorophenyl)- are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 11.55; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 193.89; (8)ACD/KOC (pH 7.4): 218.13; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 34.75 cm3; (15)Molar Volume: 104.4 cm3; (16)Polarizability: 13.77×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.379 g/cm3; (19)Flash Point: 68.4 °C; (20)Enthalpy of Vaporization: 42.57 kJ/mol; (21)Boiling Point: 189.5 °C at 760 mmHg; (22)Vapour Pressure: 0.567 mmHg at 25°C. 

Uses of Hydrazine,(2,5-difluorophenyl)-: It can react with 2-Hydroxy-3-benzoyl-acrylsaeuremethylester to produce 1-(2,5-difluoro-phenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid methyl ester. This reaction will need reagent AcOH. The reaction time is 2 hours with heating, and the yield is about 98.6%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. What's more, it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(F)cc1NN
(2)InChI: InChI=1/C6H6F2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2
(3)InChIKey: JNBRDOQHPXUXLY-UHFFFAOYAN

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