CAS No.10068-07-2,METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10068-07-2
Name:	METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE
Article Data:	17

Formula:	C₅H₅NO₄
Molecular Weight:	143.099
Synonyms:	5-Isoxazolecarboxylicacid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxyisoxazole-5-carboxylic acid methylester;
Density:	1.406 g/cm³
Melting Point:	160-163 °C(lit.)
Boiling Point:	332.915 °C at 760 mmHg
Flash Point:	155.142 °C
Appearance:	Light yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	72.56000
LogP:	0.16680

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Specification

The Methyl 3-hydroxyisoxazole-5-carboxylate with the cas number 10068-07-2, is also called methyl 3-oxo-1,2-oxazole-5-carboxylate named by IUPAC. It belongs to the following product categories: (1)pharmacetical; (2)Heterocycles series; (3)Heterocyclic Compounds; (4)Aromatics Compounds; (5)Aromatics; (6)Intermediates; (7)Building Blocks; (8)Heterocyclic Building Blocks; (9)Isoxazoles

Physical properties about this chemical are: (1)ACD/LogP: -0.59 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.59 ; (4)ACD/LogD (pH 7.4): -0.59 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 11.43 ; (8)ACD/KOC (pH 7.4): 11.43 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 55.84 Å² ; (13)Index of Refraction: 1.494 ; (14)Molar Refractivity: 29.46 cm³ ; (15)Molar Volume: 101.1 cm³ ; (16)Polarizability: 11.68 ×10^-24cm³ ; (17)Surface Tension: 46.1 dyne/cm ; (18)Density: 1.414 g/cm³ ; (19)Flash Point: 155.1 °C ; (20)Enthalpy of Vaporization: 59.86 kJ/mol ; (21)Boiling Point: 332.9 °C at 760 mmHg ; (22)Vapour Pressure: 7.31E-05 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. In case of contact with your eyes, you should immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes when contact with your skin. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

You can still convert the following datas into molecular structure :
(1) SMILES: O=C(OC)C=1ONC(=O)C=1
(2) InChI:InChI=1/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)