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3-Fluorobenzoic hydrazide

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Name

3-Fluorobenzoic hydrazide

EINECS N/A
CAS No. 499-55-8 Density 1.272 g/cm3
PSA 55.12000 LogP 1.52040
Solubility N/A Melting Point 138 °C
Formula C7H7FN2O Boiling Point 312.6 °C at 760 mmHg
Molecular Weight 154.144 Flash Point 142.8 °C
Transport Information N/A Appearance WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER, NEEDLES OR CHUNKS
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 499-55-8 (3-FLUOROBENZHYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, m-fluoro-, hydrazide (8CI);3-Fluorobenzoic acidhydrazide;NSC 522533;m-Fluorobenzoic acid hydrazide;

Article Data 33

3-Fluorobenzoic hydrazide Specification

This chemical is called Benzoic acid, 3-fluoro-, hydrazide, and its systematic name is 3-fluorobenzohydrazide. With the molecular formula of C7H7FN2O, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Phenyls & Phenyl-Het; Fluorine Compounds; Carbonyl Compounds; Organic Building Blocks. The CAS registry number of this chemical is 499-55-8.

Other characteristics of the Benzoic acid, 3-fluoro-, hydrazide can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.77; (8)ACD/KOC (pH 7.4): 137.76; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 38.77 cm3; (15)Molar Volume: 121.1 cm3; (16)Polarizability: 15.37×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 58.45 kJ/mol; (21)Boiling Point: 312.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000224 mmHg at 25°C.

Uses of this chemical: The Benzoic acid, 3-fluoro-, hydrazide could react with carbon disulfide, and obtain the 5-(3-fluoro-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction needs the reagent of potassium hydroxide, and the solvent of ethanol. The yield is 56 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1cc(F)ccc1)NN
2.InChI: InChI=1/C7H7FN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
3.InChIKey: UUISEXNUHLZEDB-UHFFFAOYAY

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