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HCID 278694Erstellt: 27. Oktober 2026

benzyl N-(2-bromoethyl)carbamate

Benzyl N-(2-broMoethyl)carbaMate · N-Benzyloxycarbonyl-2-bromoethylamine · NSC 128581 · Benzyl (2-bromoethyl) · N-Cbz-3-broMoethylaMine · N-CBZ-2-BROMOETHYLAMINE · BENZYL 2-BROMOETHYLCARBAMATE · 2-Bromoethylamine, N-CBZ protected

https://huagongshe.com/de/chemical/278694

Molekülstruktur von benzyl N-(2-bromoethyl)carbamate

Identifikatoren & physikalische Daten

CAS No.53844-02-3
SummenformelC10H12BrNO2
Durchschnittliche Molmasse258,11 g/mol
Monoisotopische Masse257,00514072 g/mol
SMILESO=C(NCCBr)OCc1ccccc1
InChIKeyHREXFDIZSAUXBO-UHFFFAOYSA-N
PubChem CID278694
EC No.695-211-3
DTXSIDDTXSID10299160

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)38,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome14
Formalladung0
Komplexität170
Schmelzpunkt45 °C
Siedepunkt361.1±35.0 °C(Predicted)
Dichte1.428
LagerbedingungenInert atmosphere,Store in freezer, under -20°C
pKa (Säurekonstante)11.55±0.46(Predicted)
InChIInChI=1S/C10H12BrNO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKeyHREXFDIZSAUXBO-UHFFFAOYSA-N
SMILESC(OCC1=CC=CC=C1)(=O)NCCBr

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Zollcode2921199990