5-Isopropyl-3-isoxazolecarbonyl chloride supplier

Name
5-Isopropyl-3-isoxazolecarbonyl chloride
EINECS
CAS No. 53064-56-5
Article Data2
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₇H₈ClNO₂
Boiling Point 244.8 °C at 760 mmHg
Molecular Weight 173.599
Flash Point 101.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Isopropyl-3-isoxazolecarbonylchloride;
PSA 43.10000
LogP 2.17700

5-Isopropyl-3-isoxazolecarbonyl chloride Specification

This chemical has the systematic name 5-Isopropyl-3-isoxazolecarbonyl chloride. With the CAS registry number 53064-56-5, it is also known as 3-isoxazolecarbonyl chloride, 5-(1-methylethyl)-. Its molecular formula is C₇H₈ClNO₂ and its molecular weight is 173.60. Additionally, its product category is Heterocycle.

Other characteristics of the 5-Isopropyl-3-isoxazolecarbonyl chloride can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 43.1 Å²; (9)Index of Refraction: 1.49; (10)Molar Refractivity: 41.07 cm³; (11)Molar Volume: 141.9 cm³; (12)Polarizability: 16.28×10^-24cm³; (13)Surface Tension: 38.8 dyne/cm; (14)Density: 1.223 g/cm³; (15)Flash Point: 101.9 °C; (16)Enthalpy of Vaporization: 48.19 kJ/mol; (17)Boiling Point: 244.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)c1cc(no1)C(=O)Cl
2.InChI: InChI=1/C7H8ClNO2/c1-4(2)6-3-5(7(8)10)9-11-6/h3-4H,1-2H3
3.InChIKey: GZPWGHHYNHDGKH-UHFFFAOYAB

Product Name

5-Isopropyl-3-isoxazolecarbonyl chloride

5-Isopropyl-3-isoxazolecarbonyl chloride Specification

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