5-Bromo-2-cyano-3-(trifluoromethyl)pyridine - CAS 1214377-57-7
Catalog: |
BB072195 |
Product Name: |
5-Bromo-2-cyano-3-(trifluoromethyl)pyridine |
CAS: |
1214377-57-7 |
Synonyms: |
5-Bromo-2-cyano-3-(trifluoromethyl)pyridine; 5-bromo-3-(trifluoromethyl)pyridine-2-carbonitrile; 5-BROMO-3-(TRIFLUOROMETHYL)-2-PYRIDINECARBONITRILE; 5-bromo-3-(trifluoromethyl)picolinonitrile |
IUPAC Name: | 5-bromo-3-(trifluoromethyl)pyridine-2-carbonitrile |
Description: | 5-Bromo-2-cyano-3-(trifluoromethyl)pyridine |
Molecular Weight: | 251.01 |
Molecular Formula: | C7H2BrF3N2 |
Canonical SMILES: | C1=C(C=NC(=C1C(F)(F)F)C#N)Br |
InChI: | InChI=1S/C7H2BrF3N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H |
InChI Key: | VOZKRLOGKCRQIZ-UHFFFAOYSA-N |
Melting Point: | 67 - 69°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.93535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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