4-Oxazolecarbonylchloride, 5-phenyl- supplier

Name
5-PHENYL-1,3-OXAZOLE-4-CARBONYL CHLORIDE
EINECS
CAS No. 337508-64-2
Article Data3
CAS DataBase
Density 1.321 g/cm³
Solubility
Melting Point 74 °C
Formula C₁₀H₆ClNO₂
Boiling Point 357.187 °C at 760 mmHg
Molecular Weight 207.616
Flash Point 169.821 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms 5-Phenyl-1,3-oxazole-4-carbonylchloride;5-Phenyloxazole-4-carbonyl chloride;
PSA 43.10000
LogP 2.72060

4-Oxazolecarbonylchloride, 5-phenyl- Specification

The 4-Oxazolecarbonylchloride, 5-phenyl-, with the CAS registry number 337508-64-2, is also known as 5-Phenyloxazole-4-carbonyl chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C₁₀H₆ClNO₂ and molecular weight is 207.61. What's more, its IUPAC name is 5-phenyl-1,3-oxazole-4-carbonyl chloride.

Physical properties of 4-Oxazolecarbonylchloride, 5-phenyl- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.433; (4)ACD/BCF (pH 5.5): 41.618; (5)ACD/KOC (pH 5.5): 501.987; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 43.1 Å²; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 51.48 cm³; (12)Molar Volume: 157.145 cm³; (13)Surface Tension: 47.523 dyne/cm; (14)Density: 1.321 g/cm³; (15)Flash Point: 169.821 °C; (16)Enthalpy of Vaporization: 60.253 kJ/mol; (17)Boiling Point: 357.187 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(N=CO2)C(=O)Cl
(2)InChI: InChI=1S/C10H6ClNO2/c11-10(13)8-9(14-6-12-8)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: BYLADISDYODORG-UHFFFAOYSA-N

Product Name

5-PHENYL-1,3-OXAZOLE-4-CARBONYL CHLORIDE

4-Oxazolecarbonylchloride, 5-phenyl- Specification

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