4-Oxazolemethanol,2-(4-bromophenyl)- supplier

Name
[2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL
EINECS
CAS No. 36841-48-2
Article Data2
CAS DataBase
Density 1.581 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂
Boiling Point 388.186 °C at 760 mmHg
Molecular Weight 254.083
Flash Point 188.568 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL
PSA 46.26000
LogP 2.59640

4-Oxazolemethanol,2-(4-bromophenyl)- Specification

The 4-Oxazolemethanol,2-(4-bromophenyl)-, with the CAS registry number 36841-48-2, has the systematic name [2-(4-bromophenyl)oxazol-4-yl]methanol. Its molecular formula is C₁₀H₈BrNO₂and its molecular weight is 254.08.

Other characteristics of the 4-Oxazolemethanol,2-(4-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.528; (4)ACD/LogD (pH 7.4): 2.528; (5)ACD/BCF (pH 5.5): 49.098; (6)ACD/BCF (pH 7.4): 49.098; (7)ACD/KOC (pH 5.5): 565.038; (8)ACD/KOC (pH 7.4): 565.038; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 55.377 cm³; (15)Molar Volume: 160.738 cm³; (16)Polarizability: 21.953×10^-24cm³; (17)Surface Tension: 52.561 dyne/cm; (18)Density: 1.581 g/cm³; (19)Flash Point: 188.568 °C; (20)Enthalpy of Vaporization: 67.224 kJ/mol; (21)Boiling Point: 388.186 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ccc1c2nc(co2)CO)Br
2.InChI: InChI=1/C10H8BrNO2/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
3.InChIKey: RYNAHCKMFPVCPI-UHFFFAOYAE

Product Name

[2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL

4-Oxazolemethanol,2-(4-bromophenyl)- Specification

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