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| CAS No.: | 499-55-8 |
|---|---|
| Name: | 3-FLUOROBENZHYDRAZIDE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C7H7FN2O |
| Molecular Weight: | 154.144 |
| Synonyms: | Benzoicacid, m-fluoro-, hydrazide (8CI);3-Fluorobenzoic acidhydrazide;NSC 522533;m-Fluorobenzoic acid hydrazide; |
| Density: | 1.272 g/cm3 |
| Melting Point: | 138 °C |
| Boiling Point: | 312.6 °C at 760 mmHg |
| Flash Point: | 142.8 °C |
| Appearance: | WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER, NEEDLES OR CHUNKS |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.12000 |
| LogP: | 1.52040 |
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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.
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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