Oxazole,5-(4-ethynylphenyl)- supplier

Name
5-(4-ETHYNYLPHENYL)-1,3-OXAZOLE
EINECS
CAS No. 501944-63-4
Density 1.18 g/cm³
Solubility
Melting Point 75.5-77.5 ºC
Formula C₁₁H₇NO
Boiling Point 290.1 °C at 760 mmHg
Molecular Weight 169.183
Flash Point 116.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4-Ethynylphenyl)oxazole;
PSA 26.03000
LogP 2.32290

Oxazole,5-(4-ethynylphenyl)- Specification

The Oxazole,5-(4-ethynylphenyl)- has the CAS registry number 501944-63-4. This chemical's molecular formula is C₁₁H₇NO and molecular weight is 169.18. What's more, its systematic name is 5-(4-ethynylphenyl)-1,3-oxazole.

Physical properties of Oxazole,5-(4-ethynylphenyl)- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/BCF (pH 5.5): 21.62; (5)ACD/KOC (pH 5.5): 314.16; (6)ACD/KOC (pH 7.4): 314.17; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å²; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 48.8 cm³; (13)Molar Volume: 142.9 cm³; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.18 g/cm³; (16)Flash Point: 116.3 °C; (17)Enthalpy of Vaporization: 50.82 kJ/mol; (18)Boiling Point: 290.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00367 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)c2cnco2
(2)InChI: InChI=1S/C11H7NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H
(3)InChIKey: CYRYZDZQFDRTHD-UHFFFAOYSA-N

Product Name

5-(4-ETHYNYLPHENYL)-1,3-OXAZOLE

Oxazole,5-(4-ethynylphenyl)- Specification

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