Basic Information | Post buying leads | Suppliers |
Name |
Benzenemethanol,4-(2-pyrimidinyl)- |
EINECS | N/A |
CAS No. | 100806-78-8 | Density | 1.201 g/cm3 |
PSA | 46.01000 | LogP | 1.63590 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes |
Harmful:; |
|
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(Pyrimidin-2-yl)benzylalcohol; |
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