1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)- supplier

Name
5-(CHLOROMETHYL)-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOLE
EINECS
CAS No. 57238-76-3
Article Data10
CAS DataBase
Density 1.278 g/cm³
Solubility
Melting Point 52 °C
Formula C₁₀H₉ClN₂O₂
Boiling Point 354.9 °C at 760 mmHg
Molecular Weight 224.647
Flash Point 168.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 5-(CHLOROMETHYL)-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOLE;AKOS BB-7029;BUTTPARK 97\16-92
PSA 48.15000
LogP 2.48400

1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)- Specification

The 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)- has CAS registry number 57238-76-3. This chemical's molecular formula is C₁₀H₉ClN₂O₂ and molecular weight is 224.64. What's more, its IUPAC name is 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Physical properties of 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.15 Å²; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 55.77 cm³; (9)Molar Volume: 175.6 cm³; (10)Polarizability: 22.1×10^-24cm³; (11)Surface Tension: 44.9 dyne/cm; (12)Density: 1.278 g/cm³; (13)Flash Point: 168.4 °C; (14)Enthalpy of Vaporization: 57.63 kJ/mol; (15)Boiling Point: 354.9 °C at 760 mmHg; (16)Vapour Pressure: 6.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(no1)c2ccc(OC)cc2
(2)Std. InChI: InChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
(3)Std. InChIKey: DNEALSFRYSYSDL-UHFFFAOYSA-N

Product Name

5-(CHLOROMETHYL)-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOLE

1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)- Specification

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