2-Hydrazinobenzoic acid hydrochloride

The 2-Hydrazinobenzoic acid hydrochloride, with the CAS registry number 52356-01-1, is also known as benzoic acid, 2-hydrazinyl-, hydrochloride (1:1). Its molecular formula is C₇H₉ClN₂O₂ and its systematic name is 2-hydrazinylbenzoic acid hydrochloride (1:1). However, this chemical should be sealed in the cool and dry place where the room is ventilated. Besides, it belongs to the product categories Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenylhydrazine; Hydrazines; Nitrogen Compounds; Organic Building Blocks. It's used as synthetic intermediates.

Other characteristics of the 2-Hydrazinobenzoic acid hydrochloride can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Flash Point: 166.9 °C; (14)Enthalpy of Vaporization: 63.01 kJ/mol; (15)Boiling Point: 352.3 °C at 760 mmHg; (16)Vapour Pressure: 1.44E-05 mmHg at 25°C.

Production method of the 2-Hydrazinobenzoic acid hydrochloride: Plus 10ml water into O-amino benzoic acid (6.85g), making the mixture to a paste. Slowly adding 12.5ml concentrated hydrochloric acid, cool it to 0 °C. Diazotization with sodium nitrite solution (3.5g) and taking sodium sulfite (25.5g, below 10 °C) into 100ml water solution with stirring, adding glacial acetic acid, stir the zinc dust  at room temperature for 20min and keep it in boiling water bath for 2h. Please cool the filtrate to room temperature and add concentrated hydrochloric acid. Through the precipitation, sedimentation, filtration, the final product could be made.

Uses of the 2-Hydrazinobenzoic acid hydrochloride: It could react with 3,3-dichloro-propenal to obtain the 2-[N'-(3,3-dichloro-allylidene)-hydrazino]-benzoic acid. This reaction needs the reagent of AcONa*3H₂O, and the solvents of ethanol, H₂O. The yield is 90 %. In addition, this reaction should be taken for 3 hours at the temperature of 20 °C.

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: Cl.O=C(O)c1ccccc1NN
2.InChI: InChI=1/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
3.InChIKey: ZGNNOFKURIXXRF-UHFFFAOYAQ