Ethyl trichloroacetate - CAS 515-84-4

Name: Ethyl trichloroacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	ethyl 2,2,2-trichloroacetate
Description:	Ethyl trichloroacetate (CAS# 515-84-4 ) is a useful research chemical.
Molecular Weight:	191.44
Molecular Formula:	C4H5Cl3O2
Canonical SMILES:	CCOC(=O)C(Cl)(Cl)Cl
InChI:	InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChI Key:	SJMLNDPIJZBEKY-UHFFFAOYSA-N
Boiling Point:	168 °C
Purity:	99 %
Density:	1.378 g/cm³
Appearance:	Clear colorless liquid
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00000795
LogP:	1.91970

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (95.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
19826722	20091107	Synthesis, structure and ethylene polymerisation behaviour of vanadium(IV and V) complexes bearing chelating aryloxides	Dalton transactions (Cambridge, England : 2003)
19826723	20091107	Vanadium-based imido-alkoxide pro-catalysts bearing bisphenolate ligands for ethylene and epsilon-caprolactone polymerisation	Dalton transactions (Cambridge, England : 2003)
19750528	20091102	Atom-transfer radical addition reactions catalyzed by RuCp* complexes: a mechanistic study	Chemistry (Weinheim an der Bergstrasse, Germany)
18529049	20080707	Early transition metal complexes bearing a C-capped tris(phenolate) ligand incorporating a pendant imine arm: synthesis, structure, and ethylene polymerization behavior	Inorganic chemistry
17115460	20070101	Oxo- and imidovanadium complexes incorporating methylene- and dimethyleneoxa-bridged calix[3]- and -[4]arenes: synthesis, structures and ethylene polymerisation catalysis	Chemistry (Weinheim an der Bergstrasse, Germany)

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4