CAS No.35166-37-1,3-(Chloromethyl)-5-methylisoxazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35166-37-1
Name:	3-(Chloromethyl)-5-methylisoxazole
Article Data:	8

Formula:	C₅H₆ClNO
Molecular Weight:	131.562
Synonyms:	(5-Methylisoxazol-3-yl)methylchloride;3-Chloromethyl-5-methylisoxazole;5-Methyl-3-chloromethylisoxazole;
Density:	1.202 g/cm³
Boiling Point:	215.1 ºC at 760 mmHg
Flash Point:	83.9ºC
Hazard Symbols:	Xi, C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	26.03000
LogP:	1.72180

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Specification

The IUPAC name of 3-(Chloromethyl)-5-methylisoxazole is 3-(Chloromethyl)-5-methyl-1,2-oxazole. With the CAS registry number 35166-37-1, it is also named as Isoxazole,3-(chloromethyl)-5-methyl-. The product's categories are oxazole & isoxazole and heterocycle, its molecular formula is C₅H₆ClNO and its molecular weight is 131.56.

The other characteristics of 3-(Chloromethyl)-5-methylisoxazole can be summarized as: (1)XLogP3-AA: 1.2; (2)Rotatable Bond Count: 1; (3)Exact Mass: 131.013792; (4)MonoIsotopic Mass: 131.013792; (5)Heavy Atom Count: 8; (6)Complexity: 78.8; (7)ACD/LogP: 0.81; (8)# of Rule of 5 Violations: 0; (9)ACD/LogD (pH 5.5): 0.81; (10)ACD/LogD (pH 7.4): 0.81; (11)ACD/BCF (pH 5.5): 2.42; (12)ACD/BCF (pH 7.4): 2.42; (13)ACD/KOC (pH 5.5): 65.6; (14)ACD/KOC (pH 7.4): 65.6; (15)H bond acceptors: 2; (16)H bond donors: 0; (17)Freely Rotating Bonds: 1; (18)Polar Surface Area: 26.03 Å²; (19)Index of Refraction: 1.482; (20)Molar Refractivity: 31.23 cm³; (21)Molar Volume: 109.4 cm³; (22)Polarizability: 12.38×10^-24cm³; (23)Surface Tension: 36.1 dyne/cm; (24)Density: 1.202 g/cm³; (25)Flash Point: 83.9 °C; (26)Enthalpy of Vaporization: 43.31 kJ/mol; (27)Boiling Point: 215.1 °C at 760 mmHg; (28)Vapour Pressure: 0.22 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-(Chloromethyl)-5-methylisoxazole can cause burns. So please wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCc1noc(c1)C
(2)InChI:InChI=1/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
(3)InChIKey:FEXTXBAFBURKGS-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
(5)Std. InChIKey:FEXTXBAFBURKGS-UHFFFAOYSA-N