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CAS No.: | 88958-33-2 |
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Name: | 5-(2-FURYL)ISOXAZOLE-3-CARBONYL CHLORIDE |
Molecular Structure: | |
Formula: | C8H4ClNO3 |
Molecular Weight: | 197.58 |
Synonyms: | 5-(2-FURYL)ISOXAZOLE-3-CARBONYL CHLORIDE;5-Fur-2-ylisoxazole-3-carbonyl chloride;5-Fur-2-ylisoxazole-3-carbonyl chloride 95% |
Density: | 1.411g/cm3 |
Melting Point: | 74 °C |
Boiling Point: | 344.2 °C at 760 mmHg |
Flash Point: | 162 °C |
Hazard Symbols: | C |
PSA: | 56.24000 |
LogP: | 2.31360 |
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The 3-Isoxazolecarbonylchloride, 5-(2-furanyl)-, with CAS registry number 88958-33-2, has the systematic name of 5-furan-2-ylisoxazole-3-carbonyl chloride. Besides this, it is also called 5-(2-Furyl)isoxazole-3-carbonyl chloride. And the chemical formula of this chemical is C8H4ClNO3.
Physical properties of 3-Isoxazolecarbonylchloride, 5-(2-furanyl)-: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.2; (6)ACD/BCF (pH 7.4): 16.2; (7)ACD/KOC (pH 5.5): 255.54; (8)ACD/KOC (pH 7.4): 255.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.24 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 43.77 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 17.35×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 162 °C; (20)Enthalpy of Vaporization: 58.82 kJ/mol; (21)Boiling Point: 344.2 °C at 760 mmHg; (22)Vapour Pressure: 6.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c2noc(c1occc1)c2
(2)InChI: InChI=1/C8H4ClNO3/c9-8(11)5-4-7(13-10-5)6-2-1-3-12-6/h1-4H
(3)InChIKey: RCDNHOYZXMTBMF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H4ClNO3/c9-8(11)5-4-7(13-10-5)6-2-1-3-12-6/h1-4H
(5)Std. InChIKey: RCDNHOYZXMTBMF-UHFFFAOYSA-N