(E)-m-(Trifluormethyl)cinnamsure

Einecs 267-126-8 · Cinacalcet Impurity II · Cinacalcet Impurity 97 · (E)-m-(trifluoromethyl)cinnamic acid · (E)-3-(Trifluoromethyl)cinnamic acid · 3-(Trifluoromethyl)-trans-cinnamic acid · m-(Trifluoromethyl)cinnamic acid, (trans)- · Cinacalcet Impurity 8/Cinacalcet cinnamic acid impurity

https://huagongshe.com/de/chemical/719451

Molekülstruktur von (E)-m-(Trifluormethyl)cinnamsure

Identifikatoren & physikalische Daten

CAS No.	67801-07-4
Summenformel	C10H7F3O2
Durchschnittliche Molmasse	216,16 g/mol
Monoisotopische Masse	216,03981412 g/mol
SMILES	O=C(O)/C=C/c1cccc(C(F)(F)F)c1
InChIKey	KSBWHDDGWSYETA-SNAWJCMRSA-N
PubChem CID	719451
ChEMBL	CHEMBL2387748
ChEBI	CHEBI:60704
EC No.	212-301-6
DTXSID	DTXSID90886895
Lokaler Name	(E)-m-(Trifluormethyl)cinnamsure

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	258
Schmelzpunkt	135-136 °C
Siedepunkt	289.6±35.0 °C(Predicted)
Dichte	1.363±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	4.25±0.10(Predicted)
Farbe	White to Off-White
CAS Datenbank	67801-07-4
EPA chemische Informationen	(E)-m-(Trifluoromethyl)cinnamic acid (67801-07-4)

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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 08-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27193
Hazard Classes and Categories	Skin Irrit. 2 (100%)
TSCA-Inventar-Status	TSCA listed

Anwendungen & Verwendung

Verwenden

(E)-3-(3-(Trifluoromethyl)phenyl)acrylic Acid is a reagent used in the preparation of new tacrine-cinnamic acid hybrids as cholinerase inhibitors against Alzheimer’s diseases.