2-Bromo-4-(trifluoromethyl)pyridine - CAS 175205-81-9
Catalog: |
BB013103 |
Product Name: |
2-Bromo-4-(trifluoromethyl)pyridine |
CAS: |
175205-81-9 |
Synonyms: |
2-bromo-4-(trifluoromethyl)pyridine |
IUPAC Name: | 2-bromo-4-(trifluoromethyl)pyridine |
Description: | 2-Bromo-4-(trifluoromethyl)pyridine in used in the preparation of pyrazolopyridines as kinase LRRK2 inhibitors for treating and preventing cancer and neurodegenerative diseases. |
Molecular Weight: | 225.99 |
Molecular Formula: | C6H3BrF3N |
Canonical SMILES: | C1=CN=C(C=C1C(F)(F)F)Br |
InChI: | InChI=1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H |
InChI Key: | WZVHLUMAQLUNTJ-UHFFFAOYSA-N |
Boiling Point: | 84-85 ℃ (14 mmHg) |
Purity: | 95 % |
Density: | 1.827 g/cm3 |
MDL: | MFCD00153085 |
LogP: | 2.86290 |
GHS Hazard Statement: | H301 (95.59%): 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 |
CN-113429388-A | Blue thermal activity delayed fluorescent material based on trifluoromethyl pyridine derivative receptor and application thereof | 20210628 |
CN-111875641-A | Preparation method and application of trifluoromethyl modified platinum complex | 20200811 |
CN-111875641-B | Preparation method and application of trifluoromethyl modified platinum complex | 20200811 |
CN-210146020-U | Reaction kettle for synthesizing 2-bromo-4-trifluoromethylpyridine | 20190604 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
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: | 2.8 |
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Pyridines
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