5-Methyl-1,2-oxazole-4-sulfonyl chloride

HCID 2776141CAS 321309-26-6

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Grundinformationen

Standard-SMILES: Cc1oncc1S(=O)(=O)Cl
InChIKey: STYUNYVEEFPQMF-UHFFFAOYSA-N
Summenformel: C4H4ClNO3S
Durchschnittliche Molmasse: 181,6 g/mol
Monoisotopische Masse: 180,9600419

Namen und Bezeichner

Bevorzugter Name: 5-Methyl-1,2-oxazole-4-sulfonyl chloride
IUPAC: 5-methyl-1,2-oxazole-4-sulfonyl chloride
Englischer Name: 5-Methyl-4-isoxazolesulfonyl chloride
Summenformel: C4H4ClNO3S
Molmasse: 181.6

Namen und Synonyme

5-methyl-1,2-oxazole-4-sulfonyl ChlorideRefChem:536796812-451-85-Methyl-4-isoxazolesulfonyl chloride321309-26-65-methylisoxazole-4-sulfonyl chlorideMFCD02681975DTXSID30379837CS-W0056185-methyl-4-isoxazole sulfonyl chloride5-METHYL-4-ISOXAZOLESULFONYLCHLORIDEEN300-312299

Weitere Namen anzeigen

5-Methylisoxazole-4-sulfonylchloride5-Methyl-isoxazol-4-sulfonyl chloride4-(Chlorosulphonyl)-5-methylisoxazole5-METHYL-4-ISOXAZOLESULPHONYL CHLORIDE5-Methylisoxazole-4-sulphonyl chloride4-Isoxazolesulfonylchloride,5-methyl-(9CI)4-(Chlorosulphonyl)-5-methylisoxazole, 5-Methyl-1,2-oxazole-4-sulphonyl chloride

5-methyl-4-isoxazolesulfonyl chloride, AldrichCPR4-Isoxazolesulfonyl chloride, 5-methyl-4-IsoxazoleFT-0620634SCHEMBL7458194-chlorosulfonyl-5-methylisoxazoleSBB089836chloro(5-methylisoxazol-4-yl)sulfone

Datenbank-Bezeichner

CAS: 321309-26-6
PubChem CID: 2776141
DTXSID: DTXSID30379837
EC Number: 812-451-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 68,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 209

Physikochemische Eigenschaften

Siedepunkt: 56 · 56-58°C 0,7mm
Dichte: 1.534 · 1.534±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -7.68 · -7.68±0.50(Predicted)
Aggregatzustand: low melting solid
Farbe: Colourless to light brown
InChI: 1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
InChIKey: STYUNYVEEFPQMF-UHFFFAOYSA-N
SMILES: Cc1oncc1S(Cl)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.