3-Bromo-1,1,1-trifluoroacetone - CAS 431-35-6
Catalog: |
BB025333 |
Product Name: |
3-Bromo-1,1,1-trifluoroacetone |
CAS: |
431-35-6 |
Synonyms: |
3-bromo-1,1,1-trifluoropropan-2-one |
IUPAC Name: | 3-bromo-1,1,1-trifluoropropan-2-one |
Description: | 3-Bromo-1,1,1-trifluoroacetone (CAS# 431-35-6) is used to covalently modify cysteine-390 in the concentrated substrate of the supernatant isozyme of pig heart aspartate transaminase (I). |
Molecular Weight: | 190.95 |
Molecular Formula: | C3H2BrF3O |
Canonical SMILES: | C(C(=O)C(F)(F)F)Br |
InChI: | InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2 |
InChI Key: | ONZQYZKCUHFORE-UHFFFAOYSA-N |
Boiling Point: | 87 °C |
Purity: | 95 % |
Density: | 1.83 g/cm3 |
Appearance: | Light yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00039237 |
LogP: | 1.51270 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
CN-113307724-A | 1-trifluoromethyl cinnamyl alcohol derivative and preparation method and application thereof | 20210318 |
JP-2020180131-A | Harmful arthropod control method using heterocyclic compound | 20200623 |
EP-3901151-A1 | Halogenated-heteroaryl and other heterocyclic kinase inhibitors, and uses thereof | 20200421 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
PMID | Publication Date | Title | Journal |
20345286 | 20080101 | Effect of norharmane in vitro on juvenile hormone epoxide hydrolase activity in the lower termite, Reticulitermes speratus | Journal of insect science (Online) |
11456499 | 20010724 | 19F NMR of trifluoroacetyl-labeled cysteine mutants of myoglobin: structural probes of nitric oxide bound to the H93G cavity mutant | Biochemistry |
Complexity: | 97.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.92411 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.92411 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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