5-Isoxazolamine,3-(2-chlorophenyl)- supplier

Name
3-(2-CHLORO-PHENYL)-ISOXAZOL-5-YLAMINE
EINECS
CAS No. 27025-74-7
Article Data3
CAS DataBase
Density 1.227 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂O
Boiling Point 220.376 °C at 760 mmHg
Molecular Weight 194.62
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoxazole,5-amino-3-(o-chlorophenyl)- (8CI);
PSA 52.05000
LogP 3.15840

5-Isoxazolamine,3-(2-chlorophenyl)- Specification

The 5-Isoxazolamine,3-(2-chlorophenyl)-, with its CAS registry number 27025-74-7, has its systematic name of 3-(2-chlorophenyl)isoxazol-5-amine. And it has the molecular formula of C₉H₇ClN₂O and molecular weight of 194.62.

Physical properties of 5-Isoxazolamine,3-(2-chlorophenyl)-: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.06; (6)ACD/BCF (pH 7.4): 6.06; (7)ACD/KOC (pH 5.5): 126.41; (8)ACD/KOC (pH 7.4): 126.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.27 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 50.36 cm³; (15)Molar Volume: 144.9 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.342 g/cm³; (19)Flash Point: 185.8 °C; (20)Enthalpy of Vaporization: 63.22 kJ/mol; (21)Boiling Point: 383.7 °C at 760 mmHg; (22)Vapour Pressure: 4.33E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc1ccccc1c2noc(c2)N
(2)InChI:InChI=1/C9H7ClN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
(3)InChIKey:VWFWYFUDDUOJFX-UHFFFAOYAZ

Product Name

3-(2-CHLORO-PHENYL)-ISOXAZOL-5-YLAMINE

5-Isoxazolamine,3-(2-chlorophenyl)- Specification

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