4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Grundinformationen
- CAS
81303-65-3- Standard-SMILES
CCOC(=O)c1cnn(C)c1C(=O)O- InChIKey
INIPCPYOESSJQP-UHFFFAOYSA-N- Summenformel
- C8H10N2O4
- Durchschnittliche Molmasse
- 198,18 g/mol
- Monoisotopische Masse
- 198,0640568
Namen und Bezeichner
- Bevorzugter Name
- 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 4-ethoxycarbonyl-1-methylpyrazole-5-carboxylic acid
- Englischer Name
- 4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate , 97%
- Summenformel
- C8H10N2O4
- Molmasse
- 198.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
81303-65-3- PubChem CID
- 25247567
- DTXSID
DTXSID30649466- ChEBI
CHEBI:194775- EC Number
- 695-266-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 81,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 243
Physikochemische Eigenschaften
- Siedepunkt
- 379.6 · 379.6±27.0 °C(Predicted)
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.2 · 2.20±0.37(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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
Sicherheitsdaten
- risk_code
- 22-36/37/38
- safety_code
- 22-26-36/37/39
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