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| CAS No.: | 175205-61-5 |
|---|---|
| Name: | 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE |
| Molecular Structure: | |
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| Formula: | C10H9ClN2O2 |
| Molecular Weight: | 224.64 |
| Synonyms: | 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole; |
| Density: | 1.278g/cm3 |
| Melting Point: | 65-67°C |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 174.7 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 48.15000 |
| LogP: | 2.48400 |
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Specification
The 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole with the CAS number 175205-61-5 is also called 1,2,4-Oxadiazole,3-(chloromethyl)-5-(2-methoxyphenyl)-. Its molecular formula is C10H9ClN2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.02; (6)ACD/BCF (pH 7.4): 17.02; (7)ACD/KOC (pH 5.5): 264.68; (8)ACD/KOC (pH 7.4): 264.68; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.15 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 55.77 cm3; (15)Molar Volume: 175.6 cm3; (16)Polarizability: 22.1×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 58.74 kJ/mol; (19)Vapour Pressure: 3.36×10-5 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(on1)c2c(OC)cccc2
(2)InChI: InChI=1/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3
(3)InChIKey: ZOWLLEBVXDSRDI-UHFFFAOYAS