2,1-Benzisoxazole,5-chloro-3-(4-methoxyphenyl)- supplier

Name
5-chloro-3-(4-methoxyphenyl)benzo[c]isoxazole
EINECS
CAS No. 728-22-3
Article Data3
CAS DataBase
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀ClNO₂
Boiling Point 427.9 °C at 760 mmHg
Molecular Weight 259.692
Flash Point 212.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,1-Benzisoxazole,5-chloro-3-(p-methoxyphenyl)- (6CI,7CI);5-Chloro-3-(4-methoxyphenyl)-2,1-benzisoxazole;NSC 405897;
PSA 35.26000
LogP 4.15680

2,1-Benzisoxazole,5-chloro-3-(4-methoxyphenyl)- Specification

The CAS registry number of 2,1-Benzisoxazole,5-chloro-3-(4-methoxyphenyl)- is 728-22-3. This chemical's molecular formula is C₁₄H₁₀ClNO₂ and molecular weight is 259.6877. Its systematic name and IUPAC name are the same which is called 5-chloro-3-(4-methoxyphenyl)-2,1-benzoxazole.

Physical properties of this chemical are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.621; (7)Molar Refractivity: 70.65 cm³; (8)Molar Volume: 200.8 cm³; (9)Surface Tension: 46.7 dyne/cm; (10)Density: 1.293 g/cm³; (11)Flash Point: 212.6 °C; (12)Enthalpy of Vaporization: 65.65 kJ/mol; (13)Boiling Point: 427.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(onc2cc1)c3ccc(OC)cc3
(2)InChI: InChI=1/C14H10ClNO2/c1-17-11-5-2-9(3-6-11)14-12-8-10(15)4-7-13(12)16-18-14/h2-8H,1H3
(3)InChIKey: NDPZKSDUMMEMSO-UHFFFAOYAU

Product Name

5-chloro-3-(4-methoxyphenyl)benzo[c]isoxazole

2,1-Benzisoxazole,5-chloro-3-(4-methoxyphenyl)- Specification

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