Product Name

  • Name

    [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol

  • EINECS
  • CAS No. 143426-50-0
  • Article Data2
  • CAS DataBase
  • Density 1.27g/cm3
  • Solubility
  • Melting Point 124-126°C
  • Formula C9H9N3O
  • Boiling Point 383°Cat760mmHg
  • Molecular Weight 175.19
  • Flash Point 185.4°C
  • Transport Information
  • Appearance
  • Safety
    Hazard Codes Xi
    Risk Statements 36/37/38
    Safety Statements 26-36/37/39-24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 143426-50-0 ([4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol)
  • Hazard Symbols
  • Synonyms 4-(1H-1,2,4-Triazol-1-yl)benzylalcohol;[4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol;4-(1,2,4-Triazol-1-yl)benzyl Alcohol;
  • PSA 50.94000
  • LogP 0.75960

[4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol Specification

The [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol, with the CAS registry number 143426-50-0, is also called 4-(1,2,4-Triazol-1-yl)benzyl Alcohol. And it belongs to the following product categories: Alcohols and Derivatives; Heterocycles. The molecular formula of the chemical is C9H9N3O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.45; (8)ACD/KOC (pH 7.4): 28.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.94 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 49.83 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 19.75×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 66.6 kJ/mol; (21)Boiling Point: 383 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-06 mmHg at 25°C.

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 protective clothing, gloves and eye/face protection; Avoid contact with skin and eyes. 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: n1cn(nc1)c2ccc(cc2)CO
(2)InChI: InChI=1/C9H9N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2
(3)InChIKey: KDBNYFBYMKEKAQ-UHFFFAOYAO

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