Benzenemethanol,4-(2-pyrimidinyl)- supplier

Name
(4-pyrimidin-2-ylphenyl)methanol
EINECS
CAS No. 100806-78-8
Density 1.201 g/cm³
Solubility
Melting Point 76.5 °C
Formula C₁₁H₁₀N₂O
Boiling Point 271 °C at 760 mmHg
Molecular Weight 186.2099
Flash Point 117.7 °C
Transport Information
Appearance
Safety
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols
Synonyms 4-(Pyrimidin-2-yl)benzylalcohol;
PSA 46.01000
LogP 1.63590

Benzenemethanol,4-(2-pyrimidinyl)- Specification

The Benzenemethanol,4-(2-pyrimidinyl)-, with its CAS registry number 100806-78-8, has the systematic name of [4-(pyrimidin-2-yl)phenyl]methanol. And it has the molecular formula of C₁₁H₁₀N₂O and the molecular weight of 186.2. Besides, it is a kind of harmful chemical, so you should be careful while dealing with this chemical.

The characteristics of Benzenemethanol,4-(2-pyrimidinyl)- are as follows: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 98; (8)ACD/KOC (pH 7.4): 98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.01 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.479 cm³; (15)Molar Volume: 154.982 cm³; (16)Polarizability: 21.201×10^-24cm³; (17)Surface Tension: 55.215 dyne/cm; (18)Density: 1.201 g/cm³; (19)Flash Point: 117.71 °C; (20)Enthalpy of Vaporization: 53.794 kJ/mol; (21)Boiling Point: 271.022 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:OCc1ccc(cc1)c2ncccn2
(2)InChI:InChI=1/C11H10N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-7,14H,8H2
(3)InChIKey:NUNFHGGALVZZAU-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C11H10N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-7,14H,8H2
(5)Std. InChIKey:NUNFHGGALVZZAU-UHFFFAOYSA-N

Product Name

(4-pyrimidin-2-ylphenyl)methanol

Benzenemethanol,4-(2-pyrimidinyl)- Specification

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