3-FLUOROBENZAMIDE

This chemical is called Benzamide, 3-fluoro-, and its systematic name is 3-fluorobenzamide. With the CAS registry number of 455-37-8, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Fluorine Compounds; Amides; Carbonyl Compounds; Organic Building Blocks. Additionally, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the Benzamide, 3-fluoro- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 2.89; (7)ACD/KOC (pH 5.5): 74.48; (8)ACD/KOC (pH 7.4): 74.48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 35.17 cm³; (15)Molar Volume: 112.3 cm³; (16)Polarizability: 13.94×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.238 g/cm³; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 47.52 kJ/mol; (21)Boiling Point: 238.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0426 mmHg at 25°C.

Uses of this chemical: The N-chloro-3-fluorobenzamide could be obtained by the reactant of Benzamide, 3-fluoro-. This reaction needs the reagent of t-BuOCl, and the solvent of methanol. The yield is 31 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating 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)N
2.InChI: InChI=1/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
3.InChIKey: YPIGHNIIXYSPKF-UHFFFAOYAR