2-Bromo-5-(trifluoromethyl)phenylacetonitrile - CAS 732306-26-2
Catalog: |
BB034805 |
Product Name: |
2-Bromo-5-(trifluoromethyl)phenylacetonitrile |
CAS: |
732306-26-2 |
Synonyms: |
2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile; 2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile |
Description: | 2-Bromo-5-(trifluoromethyl)phenylacetonitrile (CAS# 732306-26-2 ) is a useful research chemical. |
Molecular Weight: | 264.04 |
Molecular Formula: | C9H5BrF3N |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)CC#N)Br |
InChI: | InChI=1S/C9H5BrF3N/c10-8-2-1-7(9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2 |
InChI Key: | BUPMKGVGKPGMOB-UHFFFAOYSA-N |
Boiling Point: | 281.5 °C at 760 mmHg |
Density: | 1.597 g/cm3 |
Appearance: | White powder |
MDL: | MFCD04973763 |
LogP: | 3.53398 |
GHS Hazard Statement: | H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3174537-A1 | Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein | 20140729 |
US-10011572-B2 | Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein | 20140729 |
US-2017210715-A1 | Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein | 20140729 |
WO-2016018729-A1 | Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein | 20140729 |
EP-3174537-B1 | Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein | 20140729 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.95575 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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