Ethyl 2,2,2-Trifluoroethyl Carbonate - CAS 156783-96-9

Catalog:	BB065459
Product Name:	Ethyl 2,2,2-Trifluoroethyl Carbonate
CAS:	156783-96-9
Synonyms:	ethyl (2,2,2-trifluoroethyl) carbonate; ethyl 2,2,2-trifluoroethyl carbonate; Carbonic acid, ethyl 2,2,2-trifluoroethyl ester; Bthyl(2,2,2-trifluoroethyl)carbonate; ethyl(2,2,2-trifluoroethyl)carbonate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 2,2,2-trifluoroethyl carbonate
Molecular Weight:	172.1
Molecular Formula:	C5H7O3F3
Canonical SMILES:	CCOC(=O)OCC(F)(F)F
InChI:	InChI=1S/C5H7F3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3
InChI Key:	NIQAXIMIQJNOKY-UHFFFAOYSA-N
Solubility:	Chloroform (Soluble), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	4°C

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03472857
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.03472857
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2