methyl (2E)-3-(4-formylphenyl)prop-2-enoate

Methyl (E)-3-(4-formylphenyl)acrylate · Ozagrel-023-E · Ozagrel Impurity 63 · Methyl (E)-p-formylcinnamate · (E)-4- mylcinnamic Acid Methyl Ester · (E)-4-Formylcinnamic Acid Methyl Ester · (E)-3-(4-Formyl-phenyl)-acrylic acid methyl ester · (E)-3-(4-Formylphenyl)-2-propenoic acid methyl ester

https://huagongshe.com/de/chemical/11008713

Molekülstruktur von methyl (2E)-3-(4-formylphenyl)prop-2-enoate

Identifikatoren & physikalische Daten

CAS No.	58045-41-3
Summenformel	C11H10O3
Durchschnittliche Molmasse	190,19 g/mol
SMILES	COC(=O)/C=C/c1ccc(C=O)cc1
InChIKey	KVXMLLMZXPRPNG-VOTSOKGWSA-N
PubChem CID	11008713
EC No.	811-606-7

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	14
Formalladung	0
Komplexität	225
Schmelzpunkt	79-82 ºC
Siedepunkt	334.1±25.0 °C(Predicted)
Dichte	1.173
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	Pale Yellow
InChI	InChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+
InChIKey	KVXMLLMZXPRPNG-VOTSOKGWSA-N
SMILES	C(OC)(=O)/C=C/C1=CC=C(C=O)C=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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 Categories	Acute Tox. 4 (50%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2918300090
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Cinnamic Acid derivative