Grundinformationen
- Standard-SMILES
CCOC(=O)c1c(Br)c(C)nn1C- InChIKey
CVIBYCFOGAXTBZ-UHFFFAOYSA-N- Summenformel
- C8H11BrN2O2
- Durchschnittliche Molmasse
- 247,09 g/mol
- Monoisotopische Masse
- 246,00039
Namen und Bezeichner
- Bevorzugter Name
- ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylate
Namen und Synonyme
ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate5775-89-3RefChem:343855970-952-8ethyl 4-bromo-1,3-dimethylpyrazole-5-carboxylateMFCD02253803ethyl 4-bromo-2,5-dimethylpyrazole-3-carboxylate1H-pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, ethyl esterZINC025784424-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid ethyl esterAKOS PAO-0114SCHEMBL1431561
Weitere Namen anzeigen
BUTTPARK 52\11-37CVIBYCFOGAXTBZ-UHFFFAOYSA-NALBB-014450SBB020209STK313028XH0643AKOS000307699FS-1835
Datenbank-Bezeichner
- CAS
5775-89-3- PubChem CID
- 7022226
- EC Number
- 970-952-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 44,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 201
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
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