5-Bromo-2-(trifluoromethyl)pyridine - CAS 436799-32-5
Catalog: |
BB025444 |
Product Name: |
5-Bromo-2-(trifluoromethyl)pyridine |
CAS: |
436799-32-5 |
Synonyms: |
5-bromo-2-(trifluoromethyl)pyridine |
IUPAC Name: | 5-bromo-2-(trifluoromethyl)pyridine |
Description: | 5-Bromo-2-(trifluoromethyl)pyridine (CAS# 436799-32-5) is a useful research chemical. |
Molecular Weight: | 225.99 |
Molecular Formula: | C6H3BrF3N |
Canonical SMILES: | C1=CC(=NC=C1Br)C(F)(F)F |
InChI: | InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H |
InChI Key: | RPFAUCIXZGMCFN-UHFFFAOYSA-N |
Boiling Point: | 179.1 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.707 g/cm3 |
MDL: | MFCD06657686 |
LogP: | 2.86290 |
GHS Hazard Statement: | H301 (87.76%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021098692-A | Compounds that are active against nuclear receptors | 20191220 |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124277-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021099527-A1 | Pyrrolidine derivatives | 20191122 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.94010 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.94010 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Related Functional Groups
Pyridines
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