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CAS No.: | 3107-33-3 |
---|---|
Name: | 3-(Trifluoromethyl)phenylhydrazine hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8ClF3N2 |
Molecular Weight: | 212.602 |
Synonyms: | Hydrazine,(a,a,a-trifluoro-m-tolyl)-, hydrochloride (6CI);Hydrazine,[3-(trifluoromethyl)phenyl]-, monohydrochloride (9CI);3-Trifluoromethylphenylhydrazine hydrochloride; |
EINECS: | 206-713-5 |
Density: | 1.348 |
Melting Point: | 224-225 °C (decomp) |
Boiling Point: | 204.6 °C at 760 mmHg |
Flash Point: | 107.2 °C |
Appearance: | Off-white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 38.05000 |
LogP: | 3.56630 |
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The Hydrazine,[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1), with the CAS registry number 3107-33-3, has the the systematic name and IUPAC name of [3-(trifluoromethyl)phenyl]hydrazine hydrochloride. It is a kind of off-white powder. And the molecular formula of the chemical is C7H8ClF3N2.
The characteristics of Hydrazine,[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 48.79; (6)ACD/BCF (pH 7.4): 55.78; (7)ACD/KOC (pH 5.5): 541.23; (8)ACD/KOC (pH 7.4): 618.78; (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: 107.2 °C; (14)Enthalpy of Vaporization: 44.08 kJ/mol; (15)Boiling Point: 204.6 °C at 760 mmHg; (16)Vapour Pressure: 0.261 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better wear suitable protective clothing and gloves.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.FC(F)(F)c1cc(NN)ccc1
(2)InChI: InChI=1/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-6(4-5)12-11;/h1-4,12H,11H2;1H
(3)InChIKey: XVVBLYYGZHLQDX-UHFFFAOYAT