4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 25247567

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

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid81303-65-3DTXSID30649466RefChem:516044DTXCID50600216695-266-3MFCD094734744-ethoxycarbonyl-2-methylpyrazole-3-carboxylic acid2-Methyl-2H-pyrazole-3,4-dicarboxylic acid 4-ethyl ester4-Ethoxycarbonyl-2-methyl-pyrazole-3-carboxylic acidPS-19926Z1198220622
Weitere Namen anzeigen
-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate1-Methyl-1H-pyrazole-4,5-dicarboxylic acid 4-ethyl ester1H-Pyrazole-4,5-dicarboxylic acid, 1-methyl-, 4-ethyl ester4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate , 97%4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate , 97%
4-(ethoxycarbonyl)-1-methylpyrazole-5-carboxylic acid4-ETHYL HYDROGEN 1-METHYL-1H-PYRAZOLE-4,5-DICARBOXYLATESCHEMBL1458454CHEBI:194775INIPCPYOESSJQP-UHFFFAOYSA-NGDA30365SBB024859STK351803

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

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 · 6 Einträge

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

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

Sicherheitsdaten

risk_code
22-36/37/38
safety_code
22-26-36/37/39

Chemie und Industrie

Anbieter38 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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