Ethyl 8-bromooctanoate

ETHYL 8-BROMOOCTANOATE · 8-BROMOOCTANOIC ACID ETHYL ESTER · SEMAGLUTIDE INT · DK723 · Nsc100182 · 8-bromodecanoate · Ethyl 8-bromooctanoat · ETHYL W-BROMOOCTANOATE

https://huagongshe.com/de/chemical/264813

Molekülstruktur von Ethyl 8-bromooctanoate

Identifikatoren & physikalische Daten

CAS No.	29823-21-0
Summenformel	C10H19BrO2
Durchschnittliche Molmasse	251,16 g/mol
Monoisotopische Masse	250,05684195 g/mol
SMILES	CCOC(=O)CCCCCCCBr
InChIKey	UBTQVPMVWAEGAC-UHFFFAOYSA-N
PubChem CID	264813
EC No.	608-417-5
DTXSID	DTXSID10295187

Chemische & physikalische Eigenschaften

XLogP	3,3
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	9
Schwere Atome	13
Formalladung	0
Komplexität	126
Siedepunkt	123°C/ 3mm
Dichte	1.194
Brechungsindex	1.458
Lagerbedingungen	2-8°C
Löslichkeit	DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand	Oil
Farbe	Clear Colourless
InChI	InChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
InChIKey	UBTQVPMVWAEGAC-UHFFFAOYSA-N
SMILES	C(OCC)(=O)CCCCCCCBr
LogP (Verteilungskoeffizient)	3.809

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 19-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/32041
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2915907098
Gefahrensymbole	Xi
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

Ethyl 8-bromooctanoate is a useful research reagent for organic synthesis and other chemical processes.