3,5-Dimethyl-4-isoxazolecarboxamide supplier

Name
3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE
EINECS
CAS No. 74356-30-2
Article Data4
CAS DataBase
Density 1.2 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Dimethyl-4-formamidoisoxazole;3,5-dimethyl-1,2-oxazole-4-carboxamide;4-isoxazolecarboxamide, 3,5-dimethyl-;
PSA 69.12000
LogP 1.09060

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

Product Name

3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE

3,5-Dimethyl-4-isoxazolecarboxamide Specification

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