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[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol

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Name

[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol

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

[4-(1-methylpyrazol-3-yl)phenyl]methanol;

Article Data 5

[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol 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

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