1,1,1-Trifluoro-3-methylbutan-2-one - CAS 382-03-6
Catalog: |
BB023578 |
Product Name: |
1,1,1-Trifluoro-3-methylbutan-2-one |
CAS: |
382-03-6 |
Synonyms: |
1,1,1-trifluoro-3-methylbutan-2-one |
IUPAC Name: | 1,1,1-trifluoro-3-methylbutan-2-one |
Description: | 1,1,1-Trifluoro-3-methylbutan-2-one (CAS# 382-03-6) is a useful research chemical. |
Molecular Weight: | 140.10 |
Molecular Formula: | C5H7F3O |
Canonical SMILES: | CC(C)C(=O)C(F)(F)F |
InChI: | InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3 |
InChI Key: | NLCCAFQWEKMQLM-UHFFFAOYSA-N |
Boiling Point: | 69.4 °C at 760 mmHg |
Density: | 1.121 g/cm3 |
MDL: | MFCD08275465 |
LogP: | 1.77380 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214794-A | Near-azeotropic mixture of trifluoroiodomethane and octafluorobutene, preparation method and application thereof | 20210426 |
CN-210694412-U | Electrical device with heating device | 20191115 |
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WO-2020250116-A1 | Pyridine and pyrazine derivative for the treatment of cf, copd, and bronchiectasis | 20190610 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.04489933 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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