3,3,3-Trifluoro-2-oxopropanoic Acid Hydrate
Catalog: |
BB057225 |
Product Name: |
3,3,3-Trifluoro-2-oxopropanoic Acid Hydrate |
Synonyms: |
Trifluoropyruvic Acid Hydrate |
IUPAC Name: | 3,3,3-trifluoro-2-oxopropanoic acidhydrate |
Description: | 3,3,3-trifluoro-2-oxopropanoic acid (cas# 431-72-1) is a useful reagent in the biotransformation of pentafluoropropane in rat and humans. |
Molecular Weight: | 142.03 + (18.02) |
Molecular Formula: | C3HF3O3·H2O |
Canonical SMILES: | C(=O)(C(=O)O)C(F)(F)F.O |
InChI: | InChI=1S/C3HF3O3.H2O/c4-3(5,6)1(7)2(8)9/h(H,8,9)1H2 |
InChI Key: | DVIOGFLGQOLWTD-UHFFFAOYSA-N |
References: | Bayer, T., et al. Chem. Res. Toxicol., 15, 723 (2002). |
GHS Hazard Statement: | H314 (66.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021066155-A1 | Method for producing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) | 20191004 |
CN-111378162-A | Energy absorption method based on dynamic polymer | 20190101 |
WO-2020130122-A1 | Method for stabilizing perfluoro(2-methylene-4-methyl-1,3-dioxolane)-containing composition and stabilized perfluoro(2-methylene-4-methyl-1,3-dioxolane)-containing composition | 20181220 |
JP-2020037548-A | Method for producing aldehyde adduct to hexafluoropropylene oxide and trifluoropyruvic acid fluoride dimer | 20180903 |
WO-2020050249-A1 | Aldehyde adduct to hexafluoropropylene oxide, method for producing trifluoropyruvate fluoride dimer, and method for producing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) | 20180903 |
CN-112638891-A | Aldehyde adduct of hexafluoropropylene oxide, method for producing trifluoroacetylacyl fluoride dimer, and method for producing perfluoro (2, 4-dimethyl-2-fluoroformyl-1, 3-dioxolane) | 20180903 |
US-2021214332-A1 | Aldehyde adduct of hexafluoropropylene oxide, method of manufacturing trifluoropyruvyl fluoride dimer and method of manufacturing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) | 20180903 |
CN-109020989-B | Synthesis method of trifluoromethyl substituted 2-methyl dihydrofuran chroman skeleton compound | 20180815 |
WO-2020020913-A1 | Dissociation of biological samples | 20180724 |
EP-3827241-A1 | Dissociation of biological samples | 20180724 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.99834306 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.99834306 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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