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26725-51-9

Basic Information
CAS No.: 26725-51-9
Name: 4-HYDROXYBENZOTRIAZOLE
Molecular Structure:
Molecular Structure of 26725-51-9 (4-HYDROXYBENZOTRIAZOLE)
Formula: C6H5N3O
Molecular Weight: 135.125
Synonyms: 1H-Benzotriazol-4-ol(8CI,9CI);Benzotriazol-4-ol (7CI);4-Hydroxybenzotriazole;
Density: 1.557 g/cm3
Melting Point: 224 °C (dec.)
Boiling Point: 473.027 °C at 760 mmHg
Flash Point: 239.878 °C
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
PSA: 61.80000
LogP: 0.66350
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  • 4-hydroxybenzotriazole  CAS NO.26725-51-9

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  • 26725-51-9

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    26725-51-9

    26725-51-9

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  • 4-Hydroxy-1H-benzotriazole

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    26725-51-9

    4-Hydroxy-1H-benzotriazole

    Min.Order: 1 Gram

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  • 4-Hydroxy-1H-benzotriazole

  • Casno:

    26725-51-9

    4-Hydroxy-1H-benzotriazole

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  • 1H-Benzotriazol-7-ol

  • Casno:

    26725-51-9

    1H-Benzotriazol-7-ol

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  • 4-HYDROXYBENZOTRIAZOLE

  • Casno:

    26725-51-9

    4-HYDROXYBENZOTRIAZOLE

    Min.Order: 0

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Specification

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