5-Methyl-4-isoxazolesulfonyl chloride

Base Information

• Chemical Name: 5-Methyl-4-isoxazolesulfonyl chloride
• CAS No.: 321309-26-6
• Molecular Formula: C₄H₄ClNO₃S
• Molecular Weight: 181.6
• Hs Code.: 2934999090
• European Community (EC) Number: 812-451-8
• DSSTox Substance ID: DTXSID30379837
• Wikidata: Q72492388
• Mol file: 321309-26-6.mol

Synonyms:5-Methyl-4-isoxazolesulfonyl chloride;321309-26-6;5-methylisoxazole-4-sulfonyl chloride;5-methyl-1,2-oxazole-4-sulfonyl Chloride;4-Isoxazolesulfonyl chloride, 5-methyl-;MFCD02681975;5-Methylisoxazole-4-sulphonyl chloride;SCHEMBL745819;DTXSID30379837;STYUNYVEEFPQMF-UHFFFAOYSA-N;4-chlorosulfonyl-5-methylisoxazole;AKOS006228034;5-methyl-4-isoxazole sulfonyl chloride;5-methyl-isoxazole-4-sulfonyl chloride;CS-W005618;DS-13680;SY106731;5-METHYL-4-ISOXAZOLESULFONYLCHLORIDE;FT-0620634;EN300-312299;5-methyl-4-isoxazolesulfonyl chloride, AldrichCPR;J-517817;(rac)-(4R*,5R*,6E)-5-hydroxy-7-(4-methoxyphenyl)-4,6-dimethyl-6-hepten-3-one

Chemical Property of 5-Methyl-4-isoxazolesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 301.674 °C at 760 mmHg
• PKA: -7.68±0.50(Predicted)
• Flash Point: 136.248 °C
• PSA: 68.55000
• Density: 1.534 g/cm³
• LogP: 1.99130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.9600419
• Heavy Atom Count: 10
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-4-isoxazolesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NO1)S(=O)(=O)Cl