AG003QHG

515-84-4 | ethyl 2,2,2-trichloroacetate

AG003QHG

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CAS Number	515-84-4
Catalog Number	AG003QHG(AGN-PC-0JK9LZ)
Chemical Name	ethyl 2,2,2-trichloroacetate
EC Number	208-212-7
IUPAC Name	ethyl 2,2,2-trichloroacetate
InChI	InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChI Key	SJMLNDPIJZBEKY-UHFFFAOYSA-N
MDL Number	MFCD00000795
Molecular Formula	C4H5Cl3O2
Molecular Weight	191.4403
NSC Number	8829
SMILES	O=C(OCC)C(Cl)(Cl)Cl
UNII	BR8FKN5Z55
Synonyms	ethyl trichloroacetate, ETHYL TRICHLOROACETATE, 515-84-4, ethyl 2,2,2-trichloroacetate, Acetic acid, trichloro-, ethyl ester, UNII-BR8FKN5Z55, Acetic acid, ester with trichloroethanol, ETHYLTRICHLOROACETATE, BR8FKN5Z55, Acetic acid, 2,2,2-trichloro-, ethyl ester, SJMLNDPIJZBEKY-UHFFFAOYSA-N, C4H5Cl3O2, NSC 8829, EINECS 208-212-7, ACMC-209kup, AI3-28577, AC1L1VIP, EC 208-212-7, AC1Q3GO7, SCHEMBL56546, Ethyl trichloroacetate, 97%, ethyl-2,2,2-trichloroacetate, DTXSID9060158, Trichloroacetic Acid Ethyl Ester, CTK3I9848, NSC8829, NSC-8829, ZINC1648254, ANW-31295, MFCD00000795, STL453718, Acetic acid,2,2-trichloroethyl ester, AKOS009028882, ethyl 2,2,2-tris(chloranyl)ethanoate, MCULE-3383629166, RTR-018364, TRA0057343, 2,2,2-trichloroacetic acid ethyl ester, AJ-28727, AN-45480, AS-53570, CJ-26631, SC-66541, DB-051994, TR-018364, CS-0049521, FT-0625797, ST24030434, V2098, KS-00000532, Ethyl trichloroacetate, purum, >=96.5% (GC), A828670, I14-5899, J-802213, InChI=1/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H, Trichloroethyl acetate, n-Heptyl iodide, Acetic acid, ethyl ester, ETHYL CHLOROACETATE, C4-H5-Cl3-O2, CID10588, T1504, ACETIC ACID, 2,2,2-TRICHLOROETHYL ESTER, Ethyl trichloroacetate, 97.5% - 100G 100g,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.936g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.432g/mol
Monoisotopic Mass	189.936g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P235-P501
UN Code

Certificate of Analysis

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