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 |
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 |
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 |
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 |
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 |
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