2,2,2-Trichloroethylacetate

2,2,2-Trichloroethyl acetate · 2,2,2-trichloroethyl ethanoate · Ethanol, 2,2,2-trichloro-, 1-acetate

https://huagongshe.com/de/chemical/12241

Molekülstruktur von 2,2,2-Trichloroethylacetate

Identifikatoren & physikalische Daten

CAS No.	625-24-1
Summenformel	C4H5Cl3O2
Durchschnittliche Molmasse	191,44 g/mol
Monoisotopische Masse	189,93551244 g/mol
SMILES	CC(=O)OCC(Cl)(Cl)Cl
InChIKey	XHAXVDWUMCHTCY-UHFFFAOYSA-N
PubChem CID	12241
EC No.	621-714-4
DTXSID	DTXSID40211537

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	9
Formalladung	0
Komplexität	107
Siedepunkt	62 °C(Press: 13 Torr)
Dichte	1.401 g/mL at 20 °C (lit.)
Brechungsindex	n20/D 1.457
BRN	1757888
InChI	1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
InChIKey	XHAXVDWUMCHTCY-UHFFFAOYSA-N
SMILES	CC(=O)OCC(Cl)(Cl)Cl

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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. 3 (97.4%)
F	10-21
Wassergefährdungsklasse (WGK)	3
RTECS-Nr.	AJ8300000
R-Sätze (R)	23/24/25
Gefahrensymbole	T
Sicherheitshinweise (S)	36/37/39-45
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

2,2,2-Trichloroethyl acetate may be used in the enzyme catalyzed synthesis of enantiomerically pure prostaglandin intermediate, (1S,4R)-(-)-4-hydroxy-2-cyclopentenyl acetate.