2,2,2-Trichloroethyl acetate - CAS 625-24-1

Catalog:	BB031638
Product Name:	2,2,2-Trichloroethyl acetate
CAS:	625-24-1
Synonyms:	2,2,2-trichloroethyl acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2,2-trichloroethyl acetate
Description:	2,2,2-Trichloroethyl acetate (CAS# 625-24-1 ) is a useful research chemical.
Molecular Weight:	191.44
Molecular Formula:	C4H5Cl3O2
Canonical SMILES:	CC(=O)OCC(Cl)(Cl)Cl
InChI:	InChI=1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
InChI Key:	XHAXVDWUMCHTCY-UHFFFAOYSA-N
Boiling Point:	238.3 ℃ at 760 mmHg
Density:	1.401 g/cm³
MDL:	MFCD00142742
LogP:	1.91970

Publication Number	Title	Priority Date
US-2021179570-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
WO-2021108254-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
US-10696793-B2	Process for preparing polyimides	20180816
US-2020055986-A1	Process for preparing polyimides	20180816
US-2019345169-A1	Kras g12c inhibitors and methods of using the same	20180510

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.935512
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.935512
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2