5-METHYL-4-ISOXAZOLESULFONYL CHLORIDE

The CAS register number of 4-Isoxazolesulfonylchloride, 5-methyl- is 321309-26-6. It also can be called as 5-Methylisoxazole-4-sulfonylchloride and the IUPAC name about this chemical is 5-methyl-1,2-oxazole-4-sulfonyl chloride. The molecular formula about this chemical is C₄H₄ClNO₃S and the molecular weight is 181.6. It belongs to the following product categories which include Sulfonylhalide; Oxazoles, Isoxazoles & Benzoxazoles; Sulphonyl Chlorides; Oxazoles, Isoxazoles & Benzoxazoles; Sulphonyl Chlorides and so on.

Physical properties about 4-Isoxazolesulfonylchloride, 5-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 18.697; (4)ACD/KOC (pH 7.4): 18.697; (5)#H bond acceptors: 4; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 68.55Ų; (8)Index of Refraction: 1.508; (9)Molar Refractivity: 35.306 cm³; (10)Molar Volume: 118.382 cm³; (11)Polarizability: 13.996x10^-24cm³; (12)Surface Tension: 47.781 dyne/cm; (13)Flash Point: 136.248 °C; (14)Enthalpy of Vaporization: 52.017 kJ/mol; (15)Boiling Point: 301.674 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C .

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cno1)S(=O)(=O)Cl
(2)InChI: InChI=1/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
(3)InChIKey: STYUNYVEEFPQMF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
(5)Std. InChIKey: STYUNYVEEFPQMF-UHFFFAOYSA-N