3-Methylisoxazole supplier | CasNO.30842-90-1

Name
Isoxazole, 3-methyl-
EINECS
CAS No. 30842-90-1
Density 1.016 g/cm³
Solubility
Melting Point
Formula C₄H₅NO
Boiling Point 118.7 °C at 760 mmHg
Molecular Weight 83.0898
Flash Point 21.3 °C
Transport Information 1993
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methylisoxazole;NSC 52270;
PSA 26.03000
LogP 0.98300

3-Methylisoxazole Specification

The CAS register number of Isoxazole, 3-methyl- is 30842-90-1. It also can be called as 3-Methylisoxazole and the IUPAC name about this chemical is 3-methyl-1,2-oxazole. The molecular formula about this chemical is C₄H₅NO and the molecular weight is 83.0886.

Physical properties about Isoxazole, 3-methyl- are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 46.86; (7)ACD/KOC (pH 7.4): 46.86; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.03 Å²; (10)Index of Refraction: 1.438; (11)Molar Refractivity: 21.46 cm³; (12)Molar Volume: 81.7 cm³; (13)Polarizability: 8.51x10^-24cm³; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 1.016 g/cm³; (16)Flash Point: 21.3 °C; (17)Enthalpy of Vaporization: 34.22 kJ/mol; (18)Boiling Point: 118.7 °C at 760 mmHg; (19)Vapour Pressure: 19.7 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1occc1C
(2)InChI: InChI=1/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3
(3)InChIKey: CUMCMYMKECWGHO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3
(5)Std. InChIKey: CUMCMYMKECWGHO-UHFFFAOYSA-N

Product Name

Isoxazole, 3-methyl-

3-Methylisoxazole Specification

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