4-Methylisoxazole supplier | CasNO.6454-84-8

Name
4-Methylisoxazole
EINECS
CAS No. 6454-84-8
Density 1.017 g/cm³
Solubility
Melting Point 126-127 °C
Formula C₄H₅NO
Boiling Point 123.898 °C at 760 mmHg
Molecular Weight 83.0898
Flash Point 26.745 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methylisoxazole;4-methyl-1,2-oxazole;4-Methylisoxazole;
PSA 26.03000
LogP 0.98300

4-Methylisoxazole Specification

The 4-Methylisoxazole, with the CAS registry number 6454-84-8, has the systematic name of 4-methyl-1,2-oxazole. It belongs to the product category of Pharmacetical. It is a kind of orgaics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₄H₅NO.

The physical properties of 4-Methylisoxazole are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 21.469 cm³; (15)Molar Volume: 81.727 cm³; (16)Polarizability: 8.511×10^-24cm³; (17)Surface Tension: 31.131 dyne/cm; (18)Density: 1.017 g/cm³; (19)Flash Point: 26.745 °C; (20)Enthalpy of Vaporization: 34.688 kJ/mol; (21)Boiling Point: 123.898 °C at 760 mmHg; (22)Vapour Pressure: 15.761 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1conc1
(2)InChI: InChI=1/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3
(3)InChIKey: VHWFNFITHSPBSR-UHFFFAOYAZ

Product Name

4-Methylisoxazole

4-Methylisoxazole Specification

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