2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]- supplier

Name
1-[1-(5-METHYLISOXAZOL-3-YL)-1H-1,2,4-TRIAZOL-3-YL]ACETONE
EINECS
CAS No. 92658-77-0
Density 1.39 g/cm³
Solubility
Melting Point 138℃
Formula C₉H₁₀N₄O₂
Boiling Point 439 °C at 760 mmHg
Molecular Weight 206.204
Flash Point 219.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanone,[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]- (7CI,9CI);1-[1-(5-Methylisoxazol-3-yl)-1H-[1,2,4]triazol-3-yl]propan-2-one;NSC 379580;
PSA 73.81000
LogP 0.69520

2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]- Specification

The 2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]-, with CAS registry number 92658-77-0, has the systematic name of 1-[1-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propan-2-one. Its molecular weight is 206.2013. And the chemical formula of this chemical is C₉H₁₀N₄O₂.

Physical properties of 2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]-: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 73.81 Å²; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 53.91 cm³; (9)Molar Volume: 147.4 cm³; (10)Polarizability: 21.37×10^-24cm³; (11)Surface Tension: 51.7 dyne/cm; (12)Density: 1.39 g/cm³; (13)Flash Point: 219.3 °C; (14)Enthalpy of Vaporization: 69.59 kJ/mol; (15)Boiling Point: 439 °C at 760 mmHg; (16)Vapour Pressure: 6.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Cc1ncn(n1)c2noc(c2)C
(2)InChI: InChI=1/C9H10N4O2/c1-6(14)3-8-10-5-13(11-8)9-4-7(2)15-12-9/h4-5H,3H2,1-2H3
(3)InChIKey: RYCXPURJFYPSKV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10N4O2/c1-6(14)3-8-10-5-13(11-8)9-4-7(2)15-12-9/h4-5H,3H2,1-2H3
(5)Std. InChIKey: RYCXPURJFYPSKV-UHFFFAOYSA-N

Product Name

1-[1-(5-METHYLISOXAZOL-3-YL)-1H-1,2,4-TRIAZOL-3-YL]ACETONE

2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]- Specification

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