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CAS No.: | 198084-13-8 |
---|---|
Name: | (4-PYRIMIDIN-5-YLPHENYL)METHANOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H10N2O |
Molecular Weight: | 186.213 |
Synonyms: | 4-(Pyrimidin-5-yl)benzylalcohol; |
Density: | 1.201 g/cm3 |
Melting Point: | 127-130 °C |
Boiling Point: | 382.5 °C at 760 mmHg |
Flash Point: | 185.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-39 |
PSA: | 46.01000 |
LogP: | 1.63590 |
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The Benzenemethanol,4-(5-pyrimidinyl)-, with the CAS registry number 198084-13-8, is also known as [4-(5-Pyrimidinyl)phenyl]methanol. This chemical's molecular formula is C11H10N2O and molecular weight is 186.21. What's more, its systematic name is called (4-Pyrimidin-5-ylphenyl)methanol. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenemethanol,4-(5-pyrimidinyl)- are: (1) ACD/LogP: 0.24; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 35.01 Å2; (7) Index of Refraction: 1.606; (8) Molar Refractivity: 53.47 cm3; (9) Molar Volume: 154.9 cm3; (10) Surface Tension: 55.2 dyne/cm; (11) Density: 1.201 g/cm3; (12) Flash Point: 185.1 °C; (13) Enthalpy of Vaporization: 66.55 kJ/mol; (14) Boiling Point: 382.5 °C at 760 mmHg; (15) Vapour Pressure: 1.56E-06 mmHg at 25 °C; (16) Melting Point: 127-130 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2cc(c1ccc(cc1)CO)cnc2
(2) InChI: InChI=1/C11H10N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2
(3) InChIKey: QPOIDCHBWLGFGU-UHFFFAOYAZ