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1513-50-4

Basic Information
CAS No.: 1513-50-4
Name: (2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 1513-50-4 ((2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE)
Formula: C7H6F3N3O2
Molecular Weight: 221.139
Synonyms: Hydrazine,(a,a,a-trifluoro-2-nitro-p-tolyl)- (6CI,8CI);2-Nitro-4-trifluoromethylphenylhydrazine;
Density: 1.563 g/cm3
Melting Point: 112-113 °C
Boiling Point: 278 °C at 760 mmHg
Flash Point: 121.9 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 83.87000
LogP: 3.19570
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Specification

The Hydrazine,[2-nitro-4-(trifluoromethyl)phenyl]-, with the CAS registry number 1513-50-4, is also known as 2-Nitro-4-trifluoromethylphenyl hydrazine. It belongs to the product categories of Aromatic Halides (substituted); Phenylhydrazine. This chemical's molecular formula is C7H6F3N3O2 and molecular weight is 221.13665. Its IUPAC name is called [2-nitro-4-(trifluoromethyl)phenyl]hydrazine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Hydrazine,[2-nitro-4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.43; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.568; (6)Molar Refractivity: 46.29 cm3; (7)Molar Volume: 141.4 cm3; (8)Surface Tension: 45.9 dyne/cm; (9)Density: 1.563 g/cm3; (10)Flash Point: 121.9 °C; (11)Enthalpy of Vaporization: 51.66 kJ/mol; (12)Boiling Point: 278 °C at 760 mmHg; (13)Vapour Pressure: 0.00438 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-nitro-4-trifluoromethyl-benzene. This reaction will need reagent N2H4+H2O.

Uses of Hydrazine,[2-nitro-4-(trifluoromethyl)phenyl]-: it can be used to produce pivalic acid [2-(2-nitro-4-trifluoromethyl)phenyl]hydrazide at ambient temperature. This reaction will need reagent pyridine with reaction time of 2 hours. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN
(2)InChI: InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2
(3)InChIKey: WJBJSMUUWDXKBR-UHFFFAOYSA-N