1-methyl-1H-pyrazole-4-carbonyl chloride

HCID 3164931

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 79583-19-0
Standard-SMILES: Cn1cc(C(=O)Cl)cn1
InChIKey: QLBBQLJPRXPVOS-UHFFFAOYSA-N
Summenformel: C5H5ClN2O
Durchschnittliche Molmasse: 144,56 g/mol
Monoisotopische Masse: 144,0090405

Namen und Bezeichner

Bevorzugter Name: 1-methyl-1H-pyrazole-4-carbonyl chloride
IUPAC: 1-methylpyrazole-4-carbonyl chloride
Englischer Name: 1H-Pyrazole-4-carbonyl chloride, 1-methyl- (9CI)
Summenformel: C5H5ClN2O
Molmasse: 144.56

Namen und Synonyme

1-Methyl-1H-pyrazole-4-carbonyl chloride79583-19-0DTXSID70390389RefChem:231528DTXCID70341250690-649-11-methylpyrazole-4-carbonyl chlorideMFCD034214961H-Pyrazole-4-carbonyl chloride, 1-methyl-SCHEMBL3689701H-Pyrazole-4-carbonyl chloride, 1-methyl- (9CI)QLBBQLJPRXPVOS-UHFFFAOYSA-N

Weitere Namen anzeigen

ALBB-0091901-methyl-4-pyrazolecarbonyl chlorideSBB010302AKOS000550386AT160911-methyl-1H-pyrazole-4-formyl chloride1-Methyl-1H-pyrazole-4-carbonylchlorideLS-03013

Datenbank-Bezeichner

CAS: 79583-19-0
PubChem CID: 3164931
DTXSID: DTXSID70390389
EC Number: 690-649-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 34,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Siedepunkt: 226.6 · 226.6±13.0 °C(Predicted)
Dichte: 1.37 · 1.37±0.1 g/cm3(Predicted)
pka: -0.68 · -0.68±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): 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 2 reports by companies from 2 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.