Basic Information | Post buying leads | Suppliers |
Name |
1H-Benzotriazol-4-ol |
EINECS | N/A |
CAS No. | 26725-51-9 | Density | 1.557 g/cm3 |
PSA | 61.80000 | LogP | 0.66350 |
Solubility | N/A | Melting Point |
224 °C (dec.)
|
Formula | C6H5N3O | Boiling Point | 473.027 °C at 760 mmHg |
Molecular Weight | 135.125 | Flash Point | 239.878 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
1H-Benzotriazol-4-ol(8CI,9CI);Benzotriazol-4-ol (7CI);4-Hydroxybenzotriazole; |
This chemical is called 1H-Benzotriazol-4-ol, and its CAS registry number is 26725-51-9. With the molecular formula of C6H5N3O, its molecular weight is 135.12. Additionally, its product categories are API Intermediates; Benzotriazoles; Building Blocks; Heterocyclic Building Blocks. It should be sealed in the cool and dry plcace, away from oxides.
Other characteristics of the 1H-Benzotriazol-4-ol can be summarised as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 164; (8)ACD/KOC (pH 7.4): 92; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.8 Å2; (13)Index of Refraction: 1.786; (14)Molar Refractivity: 36.593 cm3; (15)Molar Volume: 86.749 cm3; (16)Polarizability: 14.506×10-24cm3; (17)Surface Tension: 99.556 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 239.878 °C; (20)Enthalpy of Vaporization: 76.419 kJ/mol; (21)Boiling Point: 473.027 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc2cccc1nnnc12
2.InChI: InChI=1/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9)
3.InChIKey: JMTMSDXUXJISAY-UHFFFAOYAH