1-methyl-1H-pyrazole-4-sulfonyl chloride

HCID 17024730

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Grundinformationen

CAS: 288148-34-5
Standard-SMILES: Cn1cc(S(=O)(=O)Cl)cn1
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
Summenformel: C4H5ClN2O2S
Durchschnittliche Molmasse: 180,61 g/mol
Monoisotopische Masse: 179,9760263

Namen und Bezeichner

Bevorzugter Name: 1-methyl-1H-pyrazole-4-sulfonyl chloride
IUPAC: 1-methylpyrazole-4-sulfonyl chloride
Englischer Name: 1H-Pyrazole-4-sulfonylchloride,1-methyl-(9CI)
Summenformel: C4H5ClN2O2S
Molmasse: 180.61

Namen und Synonyme

1-methyl-1H-pyrazole-4-sulfonyl chloride288148-34-5DTXSID60588677RefChem:433899DTXCID00539441675-153-51-methylpyrazole-4-sulfonyl chloride1H-PYRAZOLE-4-SULFONYL CHLORIDE, 1-METHYL-MFCD04968667chloro(1-methylpyrazol-4-yl)sulfoneSCHEMBL425649RDAVKKQKMLINOH-UHFFFAOYSA-N

Weitere Namen anzeigen

EOS-612901-methyl-(9CI)Relacorilant Impurity 21-methyl-4-pyrazolesulfonyl chloride1-Methyl-1H-pyrazol-4-sulfonyl chloride4-(Chlorosulphonyl)-1-methyl-1H-pyrazole1-Methyl-1H-pyrazole-4-sulphonyl chloride1-Methyl-1H-pyrazole-4-sulfonylchloride,97%

ALBB-012560SBB021604STK312805AKOS000302518CS-W007568PB123321-Methyl-1H-pyrazole-4-sulfonylchlorideDS-13556

Datenbank-Bezeichner

CAS: 288148-34-5
PubChem CID: 17024730
DTXSID: DTXSID60588677
EC Number: 675-153-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 60,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Siedepunkt: 295.7 · 295.7±13.0 °C(Predicted)
Dichte: 1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: crystalline solid
pka: -3.33 · -3.33±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
SMILES: N1(C)C=C(S(Cl)(=O)=O)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (40%)

Sicherheitsdaten

wgk: 3
ridadr: UN3265
hs_code: 2933199090
risk_code: 43
hazard_code: Xi
safety_code: 36/37
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden1-Methyl-1H-pyrazole-4-sulfonyl Chloride is used as a reagent in the preparation of benzoindazoles as glucocorticoid receptor modulators.