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| CAS No.: | 368-90-1 |
|---|---|
| Name: | 4-(Trifluoromethyl)phenylhydrazine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H7F3N2 |
| Molecular Weight: | 176.141 |
| Synonyms: | Hydrazine,(a,a,a-trifluoro-p-tolyl)- (8CI);1-(4-Trifluoromethylphenyl)hydrazine;4-Trifluoromethylphenylhydrazine;p-Trifluoromethylphenylhydrazine; |
| EINECS: | -0 |
| Density: | 1.339 g/cm3 |
| Melting Point: | 63-65 °C(lit.) |
| Boiling Point: | 230 °C at 760 mmHg |
| Flash Point: | 92.9 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Yellow to brownish powder |
| Hazard Symbols: |
 T,  Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| Transport Information: | UN 2811 |
| PSA: | 38.05000 |
| LogP: | 2.76430 |
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Specification
With the CAS registry number 368-90-1, the IUPAC name of Hydrazine,[4-(trifluoromethyl)phenyl]- is [4-(trifluoromethyl)phenyl]hydrazine. The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Phenylhydrazine; API intermediates; Hydrazines; Nitrogen Compounds; Organic Building Blocks. It is yellow to brownish powder.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 28.04; (6)ACD/BCF (pH 7.4): 30.79; (7)ACD/KOC (pH 5.5): 368.38; (8)ACD/KOC (pH 7.4): 404.42; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 39.74 cm3; (14)Molar Volume: 129.5 cm3; (15)Polarizability: 15.75×10-24 cm3; (16)Surface Tension: 33.8 dyne/cm; (17)Enthalpy of Vaporization: 46.66 kJ/mol; (18)Vapour Pressure: 0.0674 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 176.056133; (21)MonoIsotopic Mass: 176.056133; (22)Topological Polar Surface Area: 38; (23)Heavy Atom Count: 12; (24)Complexity: 138.
Uses of Hydrazine,[4-(trifluoromethyl)phenyl]-: It can react with piperidine-2,3-dione to get 3-[(4-trifluoromethyl-phenyl)-hydrazono]-piperidin-2-one. This reaction needs solvent ethanol and CH2Cl2 by heating. The reaction time is 15 min. The yield is 46.1 %.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1ccc(NN)cc1
2. InChI:InChI=1/C7H7F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2