3-Isoxazolecarbonylchloride, 5-(2-furanyl)- supplier

Name
5-(2-FURYL)ISOXAZOLE-3-CARBONYL CHLORIDE
EINECS
CAS No. 88958-33-2
Density 1.411g/cm³
Solubility
Melting Point 74 °C
Formula C₈H₄ClNO₃
Boiling Point 344.2 °C at 760 mmHg
Molecular Weight 197.58
Flash Point 162 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 5-(2-FURYL)ISOXAZOLE-3-CARBONYL CHLORIDE;5-Fur-2-ylisoxazole-3-carbonyl chloride;5-Fur-2-ylisoxazole-3-carbonyl chloride 95%
PSA 56.24000
LogP 2.31360

3-Isoxazolecarbonylchloride, 5-(2-furanyl)- Specification

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

Product Name

5-(2-FURYL)ISOXAZOLE-3-CARBONYL CHLORIDE

3-Isoxazolecarbonylchloride, 5-(2-furanyl)- Specification

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