3-Bromo-5-(trifluoromethyl)pyrazole - CAS 93608-11-8
Catalog: |
BB040983 |
Product Name: |
3-Bromo-5-(trifluoromethyl)pyrazole |
CAS: |
93608-11-8 |
Synonyms: |
3-bromo-5-(trifluoromethyl)-1H-pyrazole; 3-bromo-5-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 3-bromo-5-(trifluoromethyl)-1H-pyrazole |
Description: | 3-Bromo-5-(trifluoromethyl)pyrazole (CAS# 93608-11-8) is a reagent used in the preparation of novel epothilone B side chain analogues which may be used as an anticancer agent. Also used in the synthesis of hedgehog antagonists. |
Molecular Weight: | 214.97 |
Molecular Formula: | C4H2BrF3N2 |
Canonical SMILES: | C1=C(NN=C1Br)C(F)(F)F |
InChI: | InChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10) |
InChI Key: | ULONMXISWOZBAK-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 2.19100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020247418-A1 | Compounds for the treatment of kinase-dependent disorders | 20190604 |
JP-2018534283-A | Epothilone analogues, methods of synthesis, methods of treatment and drug conjugates thereof | 20151016 |
US-2019022069-A1 | Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof | 20151016 |
US-10874646-B2 | Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof | 20151016 |
AU-2014205315-A1 | Therapeutic compounds for the treatment of viral infections | 20130109 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.93535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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