3-Bromophenylhydrazine hydrochloride

The Hydrazine,(3-bromophenyl)-, hydrochloride (1:1), with the CAS registry number 27246-81-7 and EINECS registry number 248-362-0, has the the systematic name and IUPAC name of (3-bromophenyl)hydrazine hydrochloride (1:1). It is a kind of off-white to light brown powder, and belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Hydrazines; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₆H₇BrN₂^.HCl.

The characteristics of Hydrazine,(3-bromophenyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 34.23; (6)ACD/BCF (pH 7.4): 43.22; (7)ACD/KOC (pH 5.5): 408.14; (8)ACD/KOC (pH 7.4): 515.22; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Flash Point: 126.7 °C; (14)Enthalpy of Vaporization: 52.5 kJ/mol; (15)Boiling Point: 286 °C at 760 mmHg; (16)Vapour Pressure: 0.00272 mmHg at 25°C.

Uses of Hydrazine,(3-bromophenyl)-, hydrochloride (1:1): It can react with 3-acetyl-4-hydroxy-chromen-2-one to produce 3-{1-[(3-bromo-phenyl)-hydrazono]-ethyl}-4-hydroxy-chromen-2-one. This reaction will need reagent ethanol and heating. And the yield is about 61%.

  
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 gloves and eye/face protection, 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: Brc1cc(NN)ccc1.Cl
(2)InChI: InChI=1/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
(3)InChIKey: RPYIPFXHIKXRKS-UHFFFAOYAZ

The toxicity data is as follows: