CAS No.35166-33-7,(5-Methylisoxazol-3-yl)methanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35166-33-7
Name:	(5-Methylisoxazol-3-yl)methanol
Article Data:	19

Formula:	C₅H₇NO₂
Molecular Weight:	113.116
Synonyms:	3-Hydroxymethyl-5-methylisoxazole;5-Methyl-3-(hydroxymethyl)isoxazole;5-Methyl-3-isoxazolemethanol;3-Isoxazolemethanol,5-methyl-;
Density:	1.184 g/cm³
Boiling Point:	246.105 °C at 760 mmHg
Flash Point:	102.641 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	46.26000
LogP:	0.47530

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Specification

The (5-Methylisoxazol-3-yl)methanol, with the CAS registry number 35166-33-7, is also known as 5-Methyl-3-isoxazolemethanol. It belongs to the product categories of Hydroxymethyl's; Oxazoles, Isoxazoles & Benzoxazoles; Oxazole & Isoxazole; Heterocycle; Heterocyclic/Aliphatic series. This chemical's molecular formula is C₅H₇NO₂ and molecular weight is 113.11. What's more, its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methanol. It is irritating to eyes, respiratory system and skin. When using it, you should avoid contacting with skin and eyes.

Physical properties of (5-Methylisoxazol-3-yl)methanol are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.222; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 31.466; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.26 Å²; (10)Index of Refraction: 1.496; (11)Molar Refractivity: 27.92 cm³; (12)Molar Volume: 95.543 cm³; (13)Surface Tension: 44.369 dyne/cm; (14)Density: 1.184 g/cm³; (15)Flash Point: 102.641 °C; (16)Enthalpy of Vaporization: 51.061 kJ/mol; (17)Boiling Point: 246.105 °C at 760 mmHg; (18)Vapour Pressure: 0.015 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)CO
(2)InChI: InChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3
(3)InChIKey: MDYHWQQHEWDJKR-UHFFFAOYSA-N