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852180-75-7

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Basic Information
CAS No.: 852180-75-7
Name: (3-PYRIMIDIN-5-YLPHENYL)METHANOL
Molecular Structure:
Molecular Structure of 852180-75-7 ((3-PYRIMIDIN-5-YLPHENYL)METHANOL)
Formula: C11H10N2O
Molecular Weight: 186.21
Synonyms: [3-(5-Pyrimidinyl)phenyl]methanol;
Density: 1.201 g/cm3
Melting Point: 65-65.5 °C
Boiling Point: 376.5 °C at 760 mmHg
Flash Point: 181.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 41
Safety: 26-39
PSA: 46.01000
LogP: 1.63590
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  • Benzenemethanol,3-(5-pyrimidinyl)-

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Specification

The Benzenemethanol,3-(5-pyrimidinyl)-, with the CAS registry number 852180-75-7, is also known as [3-(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 (3-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,3-(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: 181.5 °C; (13) Enthalpy of Vaporization: 65.84 kJ/mol; (14) Boiling Point: 376.5 °C at 760 mmHg; (15) Vapour Pressure: 2.44E-06 mmHg at 25 °C; (16) Melting Point: 65-65.5 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2cc(c1cc(ccc1)CO)cnc2
(2) InChI: InChI=1/C11H10N2O/c14-7-9-2-1-3-10(4-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2
(3) InChIKey: PUCNXFUXTNDXKP-UHFFFAOYAH