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HCID 53395294Erstellt: 27. Oktober 2026

Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate

SAHH-IN-1 · 4-bromomethyl cinnamate · Ozagrel sodium Impurity · Ozagrel sodium impurity Ⅶ · Methyl P-brommethylcinnamate · METHYL-4-BROMOMETHYL-CINNAMATE · METHYL-P-BROMOMETHYL-CINNAMATE · Methyl-T-Bromomethyl-cinnamate

https://huagongshe.com/de/chemical/53395294

Molekülstruktur von Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate

Identifikatoren & physikalische Daten

CAS No.946-99-6
SummenformelC11H11BrO2
Durchschnittliche Molmasse255,11 g/mol
Monoisotopische Masse253,99424169 g/mol
SMILESCOC(=O)C=Cc1ccc(CBr)cc1
InChIKeyZSRCGGBALFGALF-UHFFFAOYSA-N
PubChem CID53395294
EC No.619-059-4
DTXSIDDTXSID401250638

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen4
Schwere Atome14
Formalladung0
Komplexität205
Schmelzpunkt62-63 °C
Siedepunkt333.9±22.0 °C(Predicted)
Dichte1.418±0.06 g/cm3(Predicted)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2–8 °C
LöslichkeitChloroform, DMSO, Ethyl Acetate, Methanol
AggregatzustandSolid
FarbePale Yellow
InChIInChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3
InChIKeyZSRCGGBALFGALF-UHFFFAOYSA-N
SMILESC(OC)(=O)C=CC1=CC=C(CBr)C=C1
CAS Datenbank946-99-6(CAS DataBase Reference)

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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Zollcode2916399090
GefahrensymboleXi

Anwendungen & Verwendung

Verwenden

Methyl 3-(4-bromomethyl)cinnamate is used in the synthesis of p-, m-, and ο-bis-(2-chloroethyl)aminomethylcinnamic acid hydrochloride and their esters as inhibitors.