CAS No.7064-38-2,4-IODO-5-METHYL-ISOXAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7064-38-2
Name:	4-IODO-5-METHYL-ISOXAZOLE
Article Data:	2

Formula:	C₄H₄INO
Molecular Weight:	208.986
Synonyms:	4-Iodo-5-methyl-1,2-oxazole;4-Iodo-5-methylisoxazole;
Density:	2.013g/cm³
Melting Point:	27 °C
Boiling Point:	228 °C at 760 mmHg
Flash Point:	91.7 °C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	26.03000
LogP:	1.58760

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- China (Mainland)(36)
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Specification

The 4-Iodo-5-methylisoxazole, with CAS registry number 7064-38-2, belongs to the following product categories: (1)Halides; (2)Oxazoles, Isoxazoles & Benzoxazoles. It has the systematic name of 4-iodo-5-methylisoxazole. And the chemical formula of this chemical is C₄H₄INO.

Physical properties of 4-Iodo-5-methylisoxazole: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.22; (6)ACD/BCF (pH 7.4): 9.22; (7)ACD/KOC (pH 5.5): 170.63; (8)ACD/KOC (pH 7.4): 170.63; (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: 1.576; (14)Molar Refractivity: 34.37 cm³; (15)Molar Volume: 103.7 cm³; (16)Polarizability: 13.62×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 2.013 g/cm³; (19)Flash Point: 91.7 °C; (20)Enthalpy of Vaporization: 44.57 kJ/mol; (21)Boiling Point: 228 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(onc1)C
(2)InChI: InChI=1/C4H4INO/c1-3-4(5)2-6-7-3/h2H,1H3
(3)InChIKey: NFLDXKDDDKVRSN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H4INO/c1-3-4(5)2-6-7-3/h2H,1H3
(5)Std. InChIKey: NFLDXKDDDKVRSN-UHFFFAOYSA-N