1H-Benzotriazole-1-methanol

The 1H-Benzotriazole-1-methanol, with the CAS registry number 28539-02-8, is also known as 1H-Benzotriazol-1-ylmethanol. It belongs to the product categories of C-C Bond Formation; Others; Synthetic Reagents. This chemical's molecular formula is C₇H₇N₃O and molecular weight is 149.15. What's more, its systematic name is benzotriazol-1-ylmethanol. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 1H-Benzotriazole-1-methanol are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.94 Å²; (7)Index of Refraction: 1.695; (8)Molar Refractivity: 40.61 cm³; (9)Molar Volume: 105.5 cm³; (10)Polarizability: 16.1×10^-24cm³; (11)Surface Tension: 60.3 dyne/cm; (12)Density: 1.41 g/cm³; (13)Flash Point: 159.5 °C; (14)Enthalpy of Vaporization: 61.61 kJ/mol; (15)Boiling Point: 340.2 °C at 760 mmHg; (16)Vapour Pressure: 3.39E-05 mmHg at 25°C.

Uses of 1H-Benzotriazole-1-methanol: it can be used to produce benzoic acid benzotriazol-1-ylmethyl ester at the temperature of 5 °C. It will need reagent 4-dimethylaminopyridine and solvent pyridine with the reaction time of 0.5 hour. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=NN2CO
(2)InChI: InChI=1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2
(3)InChIKey: MXJIHEXYGRXHGP-UHFFFAOYSA-N