Grundinformationen
- Standard-SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1C- InChIKey
XYIOIOHRWLZCDM-UHFFFAOYSA-N- Summenformel
- C13H14N2O2
- Durchschnittliche Molmasse
- 230,26 g/mol
- Monoisotopische Masse
- 230,10552769
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-methyl-1-phenylpyrazole-4-carboxylate
- Englischer Name
- Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
- Summenformel
- C13H14N2O2
- Molmasse
- 230.26
Namen und Synonyme
89193-16-8Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylateEINECS 289-479-7DTXSID70237568NSC 85879RefChem:138826DTXCID20160059289-479-7ethyl 5-methyl-1-phenylpyrazole-4-carboxylateMFCD000207411H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, ethyl esterethyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
Weitere Namen anzeigen
BUTTPARK 91\18-03RARECHEM AL BI 1317SALOR-INT L317519-1EAEthyl 5-methyl-1-phenyl-1H-pyrazol-4-carboxylateEthyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate ,95%5-Methyl-1-phenylpyrazole-4-carboxylic acid ethyl ester5-methyl-1-phenyl-4-pyrazolecarboxylic acid ethyl ester1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid Ethyl Ester
5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acidethyl esterNSC85879Maybridge1_001715NCIOpen2_005069F2135-0873OSM-S-23SCHEMBL1065124HMS546F21
Datenbank-Bezeichner
- CAS
89193-16-8- PubChem CID
- 96680
- DTXSID
DTXSID70237568- EC Number
- 289-479-7
- Nikkaji
- J308.010B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 44,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 264
Physikochemische Eigenschaften
- Schmelzpunkt
- 47 · 47-49°C
- Dichte
- 1.13 · 1.13
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Dichloromethane, Methanol
- Aggregatzustand
- Solid
- Farbe
- Light Yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 29331990
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenEthyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate (cas# 89193-16-8) is a compound useful in organic synthesis.
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