2-BROMOBENZHYDRAZIDE

The Benzoicacid, 2-bromo-, hydrazide, with the CAS registry number 29418-67-5 and EINECS registry number 249-614-2, has the systematic name and IUPAC name of 2-bromobenzohydrazide. It belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Benzoic acid; Bromine Compounds. And the molecular formula of the chemical is C₇H₇BrN₂O.

The characteristics of Benzoicacid, 2-bromo-, hydrazide are as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.88; (8)ACD/KOC (pH 7.4): 32.92; (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: 1.615; (14)Molar Refractivity: 46.46 cm³; (15)Molar Volume: 133.1 cm³; (16)Polarizability: 18.42×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.615 g/cm³; (19)Flash Point: 175.9 °C; (20)Enthalpy of Vaporization: 64.75 kJ/mol; (21)Boiling Point: 367.2 °C at 760 mmHg; (22)Vapour Pressure: 4.87E-06 mmHg at 25°C. 

Uses of Benzoicacid, 2-bromo-, hydrazide: It can react with carbon disulfide to produce 5-(2-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide, and the menstruum ethanol. The reaction time is 3 hours with heating, and the yield is about 37%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1Br)NN
(2)InChI: InChI=1/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
(3)InChIKey: PQNLAYLOCZKPIY-UHFFFAOYAD