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3,5-Dimethyl-4-isoxazolecarboxamide

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Name

3,5-Dimethyl-4-isoxazolecarboxamide

EINECS N/A
CAS No. 74356-30-2 Density 1.2 g/cm3
PSA 69.12000 LogP 1.09060
Solubility N/A Melting Point 148 °C
Formula C6H8N2O2 Boiling Point 246.3 °C at 760 mmHg
Molecular Weight 140.142 Flash Point 102.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 74356-30-2 (3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE) Hazard Symbols IrritantXi
Synonyms

3,5-Dimethyl-4-formamidoisoxazole;3,5-dimethyl-1,2-oxazole-4-carboxamide;4-isoxazolecarboxamide, 3,5-dimethyl-;

Article Data 4

3,5-Dimethyl-4-isoxazolecarboxamide Specification

The 3,5-Dimethyl-4-isoxazolecarboxamide, with the CAS registry number 74356-30-2, has the systematic name of 3,5-dimethyl-1,2-oxazole-4-carboxamide. It belongs to the category of Amide. And the molecular formula of the chemical is C6H8N2O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.1; (6)ACD/KOC (pH 7.4): 13.1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.34 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 35.22 cm3; (13)Molar Volume: 116.7 cm3; (14)Polarizability: 13.96×10-24cm3; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 102.8 °C; (18)Enthalpy of Vaporization: 48.34 kJ/mol; (19)Boiling Point: 246.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0273 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(onc1C)C)N
(2)InChI: InChI=1/C6H8N2O2/c1-3-5(6(7)9)4(2)10-8-3/h1-2H3,(H2,7,9)
(3)InChIKey: GHJOYRMAYLLOIO-UHFFFAOYAC

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