Ethyl 5-Bromo-1-methyl-1H-pyrazole-4-carboxylate

Ethyl 5-bromo-1-methyl-1h-pyrazole-4-formate · ethyl 5-bromo-1-methyl-pyrazole-4-carboxylate · Ethyl 5-bromo-1-methyl-1H-pyrazole-4-carboxylate · 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester · 1H-PYRAZOLE-4-CARBOXYLIC ACID, 5-BROMO-1-METHYL-, ETHYL ESTER · 5-bromo-1-methyl-1H-Pyrazole-4-carboxylic acid ethyl ester (9CI ACI) · 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-methyl-, ethyl ester (9CI, ACI)

https://huagongshe.com/de/chemical/53302113

Molekülstruktur von Ethyl 5-Bromo-1-methyl-1H-pyrazole-4-carboxylate

Identifikatoren & physikalische Daten

CAS No.	105486-72-4
Summenformel	C7H9BrN2O2
Durchschnittliche Molmasse	233,06 g/mol
Monoisotopische Masse	231,98474 g/mol
SMILES	CCOC(=O)c1cnn(C)c1Br
InChIKey	OMQVPOJHVUMCGK-UHFFFAOYSA-N
PubChem CID	53302113
EC No.	106-442-1
DTXSID	DTXSID70693302

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	44,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	177
Siedepunkt	290.7±20.0 °C(Predicted)
Dichte	1.58±0.1 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
pKa (Säurekonstante)	-1.13±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302