Tert-butyl 4-bromobenzoate

tert-Butyl p-BroMobenzoate · tert-Butyl-4-bromobenzoate · Tert-butyl 4-bromobenzoate?New · 4-Bromobenzoic acid tert-butyl ester · 4-BroMobenzoic Acid 1,1-DiMethylethyl Ester · Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester

https://huagongshe.com/de/chemical/11334366

Molekülstruktur von Tert-butyl 4-bromobenzoate

Identifikatoren & physikalische Daten

CAS No.	59247-47-1
Summenformel	C11H13BrO2
Durchschnittliche Molmasse	257,12 g/mol
Monoisotopische Masse	256,00989176 g/mol
SMILES	CC(C)(C)OC(=O)c1ccc(Br)cc1
InChIKey	BFJJYXUCGYOXDM-UHFFFAOYSA-N
PubChem CID	11334366
EC No.	676-369-2
DTXSID	DTXSID20462722

Chemische & physikalische Eigenschaften

XLogP	3,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	14
Formalladung	0
Komplexität	200
Siedepunkt	91-92 °C(Press: 1.2 Torr)
Dichte	1.331±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	liquid
Farbe	Colourless to light yellow
InChI	InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey	BFJJYXUCGYOXDM-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)(=O)C1=CC=C(Br)C=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Zollcode	2916399090

Anwendungen & Verwendung

Verwenden

4-bromo substituted benzoic acid derivative, tert-Butyl-4-broMobenzoate can be used as a building block for the synthesis of various biologically active compounds.