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143426-50-0

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

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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