3,5-Bis(trifluoromethyl)benzyl bromide - CAS 32247-96-4
Catalog: |
BB021238 |
Product Name: |
3,5-Bis(trifluoromethyl)benzyl bromide |
CAS: |
32247-96-4 |
Synonyms: |
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene |
IUPAC Name: | 1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene |
Description: | 3,5-Bis(trifluoromethyl)benzyl bromide (CAS# 32247-96-4) is used as a reagent in the synthesis of [(chlorophenyl)benzylamino]propanamides as cholesteryl ester transfer protein (CETP) inhibitors. Also used as a reagent in the synthesis of substituted dihydropyridopyrazinedione derivatives as γ-secretase modulators in the treatment of Alzheimer's disease. |
Molecular Weight: | 307.03 |
Molecular Formula: | C9H5BrF6 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CBr |
InChI: | InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2 |
InChI Key: | ATLQGZVLWOURFU-UHFFFAOYSA-N |
Boiling Point: | 136-140 °C / 14 mmHg |
Melting Point: | 28-30 °C |
Density: | 1.675 g/cm3 |
Appearance: | Light yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00009905 |
LogP: | 4.61910 |
GHS Hazard Statement: | H226 (92.41%): Flammable liquid and vapor [Warning 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 |
CN-113501764-A | Asymmetric synthesis method of multi-functional cyclopentenone derivative containing trifluoromethyl | 20210707 |
CN-113493438-A | Tetrahydroisoquinoline compounds | 20200320 |
CN-113214097-A | Compounds for the treatment of alzheimer's disease | 20200121 |
WO-2021147971-A1 | Compound for treating alzheimer's disease | 20200121 |
CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 20200116 |
PMID | Publication Date | Title | Journal |
12810714 | 20030829 | 5-Chlorouracil, a marker of DNA damage from hypochlorous acid during inflammation. A gas chromatography-mass spectrometry assay | The Journal of biological chemistry |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.94788 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.94788 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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