Benzenemethanol,4-(5-pyrimidinyl)- supplier

Name
(4-PYRIMIDIN-5-YLPHENYL)METHANOL
EINECS
CAS No. 198084-13-8
Article Data4
CAS DataBase
Density 1.201 g/cm³
Solubility
Melting Point 127-130 °C
Formula C₁₁H₁₀N₂O
Boiling Point 382.5 °C at 760 mmHg
Molecular Weight 186.213
Flash Point 185.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Pyrimidin-5-yl)benzylalcohol;
PSA 46.01000
LogP 1.63590

Benzenemethanol,4-(5-pyrimidinyl)- Specification

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

Product Name

(4-PYRIMIDIN-5-YLPHENYL)METHANOL

Benzenemethanol,4-(5-pyrimidinyl)- Specification

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