4,4,4-Trifluoro-1-phenyl-1,3-butanedione - CAS 326-06-7
Catalog: |
BB021343 |
Product Name: |
4,4,4-Trifluoro-1-phenyl-1,3-butanedione |
CAS: |
326-06-7 |
Synonyms: |
4,4,4-trifluoro-1-phenylbutane-1,3-dione |
IUPAC Name: | 4,4,4-trifluoro-1-phenylbutane-1,3-dione |
Description: | 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS# 326-06-7) is a reagent used to prepare diarylpyrazoles as cyclooxygenase 2 inhibitors. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | VVXLFFIFNVKFBD-UHFFFAOYSA-N |
Boiling Point: | 224 °C |
Melting Point: | 37-40 °C |
Purity: | 95 % |
Density: | 104 g/cm3 |
Appearance: | White to yellow crystalline low melting solid |
MDL: | MFCD00000425 |
LogP: | 2.39080 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501832-A | Fluorescent sensing application of rare earth luminescent material and paper-based thin film device thereof | 20210510 |
CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 20210331 |
CN-112250699-A | Preparation, structure and fluorescence of 4,4, 4-trifluoro-1-phenyl-1, 3-butanedione mononuclear europium complex | 20200924 |
CN-112047965-A | Preparation method and application of complex with excited ligand interstitial transfer characteristic | 20200909 |
CN-111850302-A | Method for extracting metal ions from lithium battery | 20200716 |
PMID | Publication Date | Title | Journal |
22606112 | 20120401 | 4-[5-(Furan-2-yl)-3-trifluoro-methyl-1H-pyrazol-1-yl]benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22266722 | 20120314 | Modulating spin dynamics of cyclic LnIII-radical complexes (LnIII = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand | Dalton transactions (Cambridge, England : 2003) |
22059006 | 20110901 | 4-(5-Phenyl-3-trifluoro-meth-yl-1H-pyrazol-1--yl)benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
21530778 | 20110530 | Effect of substituent of β-diketones on the synergistic extraction of lanthanoids with linear polyether | Talanta |
20299220 | 20100415 | 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity | Bioorganic & medicinal chemistry letters |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
-
Catalog: BB030404
(-)-Citronellal
Detail
-
Catalog: BB010056
(±)-cis-Cyclopentane-1,2-dicarboxylic acid
Detail
-
Catalog: BB033577
(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate
Detail
-
Catalog: BB027076
(±)-Diethyl trans-4-cyclohexene-1,2-dicarboxylate
Detail
-
Catalog: BB021353
(+)-O,O'-Di-p-toluoyl-D-tartaric Acid
Detail
-
Catalog: BB009173
(+/-)-trans-Oxirane-2,3-dicarboxylic acid
Detail
-
Catalog: BB015442
(±)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione
Detail
-
Catalog: BB036558
(+)-O,O'-Dibenzoyl-D-tartaric Acid Monohydrate
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[84030-20-6]
1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine
-
[1408282-26-7]
8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-CD]indol-6(3H)-one
-
[1071224-34-4]
7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde
-
[6279-86-3]
Triethyl methanetricarboxylate
-
[55382-52-0]
Methyl Divarinolcarboxylate
-
[1393527-23-5]
Phosphoric acid 6,6'-di(9-anthryl)-1,1'-spirobiindan-7,7'-diyl ester
INDUSTRY LEADERS TRUST OUR PRODUCTS