Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Oxazolecarbonylchloride, 5-phenyl- |
EINECS | N/A |
CAS No. | 337508-64-2 | Density | 1.321 g/cm3 |
PSA | 43.10000 | LogP | 2.72060 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes |
C:Corrosive; |
|
Molecular Structure | Hazard Symbols | C | |
Synonyms |
5-Phenyl-1,3-oxazole-4-carbonylchloride;5-Phenyloxazole-4-carbonyl chloride; |
Article Data | 3 |
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