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3-Fluorophenylhydrazine hydrochloride

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Name

3-Fluorophenylhydrazine hydrochloride

EINECS 220-886-4
CAS No. 2924-16-5 Density N/A
PSA 38.05000 LogP 2.68660
Solubility N/A Melting Point 268 °C (dec.)(lit.)
Formula C6H7FN2.HCl Boiling Point 226.7 °C at 760 mmHg
Molecular Weight 162.594 Flash Point 90.9 °C
Transport Information UN 2811 Appearance white to light yellow crystal powder
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2924-16-5 (3-Fluorophenylhydrazine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Hydrazine,(3-fluorophenyl)-, monohydrochloride (9CI);Hydrazine, (m-fluorophenyl)-,hydrochloride (8CI);m-Fluorophenylhydrazine hydrochloride;

Article Data 8

3-Fluorophenylhydrazine hydrochloride Specification

The Hydrazine,(3-fluorophenyl)-, hydrochloride (1:1), with the CAS registry number 2924-16-5 and EINECS registry number 220-886-4, has the the systematic name and IUPAC name of (3-fluorophenyl)hydrazine hydrochloride. 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; Hydrazines; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C6H7FN2.HCl.

The characteristics of Hydrazine,(3-fluorophenyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 8.96; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 152.89; (8)ACD/KOC (pH 7.4): 208.81; (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: 89.3 °C; (14)Enthalpy of Vaporization: 46.06 kJ/mol; (15)Boiling Point: 224.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0931 mmHg at 25°C.

Uses of Hydrazine,(3-fluorophenyl)-, hydrochloride (1:1): It can react with 1-chloro-2-isocyanato-ethane to produce N-(3-fluorophenyl)-N'-{[(2-chloroethyl)amino]carbonyl}hydrazine. This reaction will need reagent Et3N,  and the menstruum CH2Cl2. The reaction time is 2 hours with ambient temperature, and the yield is about 87%.

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 gloves and eye/face protection, 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: Fc1cccc(NN)c1.Cl
(2)InChI: InChI=1/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
(3)InChIKey: SKVGLOFWEJFQKU-UHFFFAOYAU

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