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5-(2-Furyl)isoxazole-3-carboxylic acid

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Name

5-(2-Furyl)isoxazole-3-carboxylic acid

EINECS N/A
CAS No. 98434-06-1 Density 1.42 g/cm3
PSA 76.47000 LogP 1.63280
Solubility N/A Melting Point 151 °C
Formula C8H5NO4 Boiling Point 418.4 °C at 760 mmHg
Molecular Weight 179.132 Flash Point 206.8 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 98434-06-1 (5-(2-FURYL)ISOXAZOLE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

3-Isoxazolecarboxylic acid, 5-(2-furanyl)-;5-(2-Furyl)-1,2-oxazole-3-carboxylic acid;

Article Data 5

5-(2-Furyl)isoxazole-3-carboxylic acid Specification

The 5-Furan-2-yl-isoxazole-3-carboxylic acid, with the CAS registry number 98434-06-1, is also known as 3-Isoxazolecarboxylic acid, 5-(2-furanyl)-. It belongs to the product category of Oxazole & Isoxazole. This chemical's molecular formula is C8H5NO4 and molecular weight is 179.13. What's more, its systematic name is 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid.

Physical properties of 5-Furan-2-yl-isoxazole-3-carboxylic acid are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.47 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 40.46 cm3; (15)Molar Volume: 126 cm3; (16)Polarizability: 16.04×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 206.8 °C; (20)Enthalpy of Vaporization: 70.84 kJ/mol; (21)Boiling Point: 418.4 °C at 760 mmHg; (22)Vapour Pressure: 9.5E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2noc(c1occc1)c2
(2)Std. InChI: InChI=1S/C8H5NO4/c10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
(3)Std. InChIKey: MLWFYCMVBAIITM-UHFFFAOYSA-N

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