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CAS No.: | 2924-16-5 |
---|---|
Name: | 3-Fluorophenylhydrazine hydrochloride |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H7FN2.HCl |
Molecular Weight: | 162.594 |
Synonyms: | Hydrazine,(3-fluorophenyl)-, monohydrochloride (9CI);Hydrazine, (m-fluorophenyl)-,hydrochloride (8CI);m-Fluorophenylhydrazine hydrochloride; |
EINECS: | 220-886-4 |
Melting Point: | 268 °C (dec.)(lit.) |
Boiling Point: | 226.7 °C at 760 mmHg |
Flash Point: | 90.9 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39 |
Transport Information: | UN 2811 |
PSA: | 38.05000 |
LogP: | 2.68660 |
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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