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| CAS No.: | 57777-33-0 |
|---|---|
| Name: | 5-(Chloromethyl)isoxazole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H4ClNO |
| Molecular Weight: | 117.535 |
| Synonyms: | Isoxazole, 5-(chloromethyl)-; |
| Density: | 1.261 g/cm3 |
| Boiling Point: | 200.1 °C at 760 mmHg |
| Flash Point: | 74.8 °C |
| PSA: | 26.03000 |
| LogP: | 1.41340 |
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- Total:28 Page 1 of 1 1
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Specification
The 5-(Chloromethyl)isoxazole, with the CAS registry number 57777-33-0, is also known as Isoxazole, 5-(chloromethyl)-. This chemical's molecular formula is C4H4ClNO and molecular weight is 117.53. What's more, its systematic name is 5-(Chloromethyl)isoxazole.
Physical properties about 5-(Chloromethyl)isoxazole are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.03 Å2; (7)Index of Refraction: 1.478; (8)Molar Refractivity: 26.4 cm3; (9)Molar Volume: 93.1 cm3; (10)Polarizability: 10.46×10-24 cm3; (11)Surface Tension: 37.5 dyne/cm; (12)Density: 1.261 g/cm3; (13)Flash Point: 74.8 °C; (14)Enthalpy of Vaporization: 41.85 kJ/mol; (15)Boiling Point: 200.1 °C at 760 mmHg; (16)Vapour Pressure: 0.467 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1oncc1
(2) InChI: InChI=1/C4H4ClNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
(3) InChIKey: OGCMYKGUHKUPCM-UHFFFAOYAH