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4-(Trifluoromethoxy)phenylhydrazine hydrochloride

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Name

4-(Trifluoromethoxy)phenylhydrazine hydrochloride

EINECS 236-341-9
CAS No. 133115-72-7 Density 1.372g/cm3
PSA 47.28000 LogP 3.44610
Solubility Soluble in water Melting Point 230 ºC
Formula C7H8ClF3N2O Boiling Point 228.9 °C at 760 mmHg
Molecular Weight 228.60 Flash Point 92.2 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 133115-72-7 (4-(Trifluoromethoxy)phenylhydrazine hydrochloride) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Hydrazine,[4-(trifluoromethoxy)phenyl]-, monohydrochloride (9CI);4-(Trifluoromethoxy)phenylhydrazinehydrochloride;

 

4-(Trifluoromethoxy)phenylhydrazine hydrochloride Specification

The IUPAC name of this chemical is [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride. With the CAS registry number 133115-72-7, it is also named as Hydrazine, [4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1). The product's categories are Phenylhydrazine; Hydrazines; Nitrogen Compounds; Organic Building Blocks. It is white to light yellow crystal powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 23.22; (6)ACD/BCF (pH 7.4): 29.31; (7)ACD/KOC (pH 5.5): 309.18; (8)ACD/KOC (pH 7.4): 390.16; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 92.2 °C; (13)Enthalpy of Vaporization: 46.55 kJ/mol; (14)Boiling Point: 228.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0715 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 228.027725; (18)MonoIsotopic Mass: 228.027725; (19)Topological Polar Surface Area: 47.3; (20)Heavy Atom Count: 14; (21)Complexity: 154.

Uses of 4-(Trifluoromethoxy)phenylhydrazine hydrochloride: It can react with 2-(Diethoxycarbonylmethylen)-indolin-3-on to get 3-[(4-trifluoromethoxy-phenyl)-hydrazono]-1,3-dihydro-indol-2-one, 2-oxo-3-(4-trifluoromethoxy-phenyl)-3,9-dihydro-2H-3,4,9-triaza-fluorene-1-carboxylic acid and 2-oxo-3-(4-trifluoromethoxy-phenyl)-3,9. This reaction needs reagent aq. ethanol by heating. The reaction time is 14 hours. The yield is 39%.


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)Oc1ccc(cc1)NN.Cl
2. InChI:InChI=1/C7H7F3N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
3. InChIKey:KQXZVSQCMVKMBK-UHFFFAOYAS

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