Trichloroacetic anhydride - CAS 4124-31-6

Catalog:	BB024834
Product Name:	Trichloroacetic anhydride
CAS:	4124-31-6
Synonyms:	(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate

Technical Data

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Computed Properties

IUPAC Name:	(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
Description:	Trichloroacetic anhydride (CAS# 4124-31-6) is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.
Molecular Weight:	308.76
Molecular Formula:	C4Cl6O3
Canonical SMILES:	C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI:	InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChI Key:	MEFKFJOEVLUFAY-UHFFFAOYSA-N
Boiling Point:	97 °C (11 torr)
Density:	1.69 g/cm³
Solubility:	Miscible with ether and acetic acid.
Appearance:	Colourless liquid
LogP:	2.79660

Publication Number	Title	Priority Date
CN-113121464-A	Five-membered heterocyclic substituted biphenyl compound and preparation method and application thereof	20210421
CN-112592266-A	Continuous production process of chloroacetic acid	20210113
CN-112592285-A	Continuous ammoniation production method of aminoacetic acid	20210113
CN-112174861-A	Method and compound for preparing alpha-aryl nitrile	20201004
CN-111848570-A	Hexaacyl reductive cercospora bacteriocin photocatalyst and preparation and application thereof	20200729

PMID	Publication Date	Title	Journal
21450074	20110330	A study protocol for the evaluation of occupational mutagenic/carcinogenic risks in subjects exposed to antineoplastic drugs: a multicentric project	BMC public health
18004458	20071207	Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides	Organic & biomolecular chemistry
15497837	20040101	Derivatisation of 4-nonylphenol and bisphenol A with halogenated anhydrides	Water science and technology : a journal of the International Association on Water Pollution Research
12658994	20030101	[Anhydride and halogenated-anhydride trihalogenacetic acid interaction with thymidine-5'-phosphate: ways to new activating reagents in nucleotide phosphorylation reactions]	Bioorganicheskaia khimiia

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GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.794910
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.797860
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6