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179055-20-0

Basic Information
CAS No.: 179055-20-0
Name: [4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol
Article Data: 5
Molecular Structure:
Molecular Structure of 179055-20-0 ([4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol)
Formula: C11H12N2O
Molecular Weight: 188.229
Synonyms: [4-(1-methylpyrazol-3-yl)phenyl]methanol;
EINECS: 200-258-5
Density: 1.14 g/cm3
Melting Point: 99 °C
Boiling Point: 363.6 °C at 760 mmHg
Flash Point: 173.7 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 22-26-36/37/39
PSA: 38.05000
LogP: 1.57940
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Specification

The Benzenemethanol,4-(1-methyl-1H-pyrazol-3-yl)-, with the CAS registry number 179055-20-0, has the systematic name [4-(1-methylpyrazol-3-yl)phenyl]methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H12N2O.

The characteristics of Benzenemethanol,4-(1-methyl-1H-pyrazol-3-yl)- are as followings: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 38.05 Å2; (9)Index of Refraction: 1.593; (10)Molar Refractivity: 55.81 cm3; (11)Molar Volume: 164.5 cm3; (12)Polarizability: 22.12×10-24cm3; (13)Surface Tension: 43 dyne/cm; (14)Density: 1.14 g/cm3; (15)Flash Point: 173.7 °C; (16)Enthalpy of Vaporization: 64.33 kJ/mol; (17)Boiling Point: 363.6 °C at 760 mmHg; (18)Vapour Pressure: 6.35E-06 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, 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: Cn1ccc(n1)c2ccc(cc2)CO
(2)InChI: InChI=1/C11H12N2O/c1-13-7-6-11(12-13)10-4-2-9(8-14)3-5-10/h2-7,14H,8H2,1H3
(3)InChIKey: VCVJSWDSNWXXJT-UHFFFAOYAK