2-Fluoro-5-(trifluoromethyl)benzyl Bromide - CAS 220239-69-0
Catalog: |
BB017293 |
Product Name: |
2-Fluoro-5-(trifluoromethyl)benzyl Bromide |
CAS: |
220239-69-0 |
Synonyms: |
2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene; 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene |
IUPAC Name: | 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene |
Description: | 2-Fluoro-5-(trifluoromethyl)benzyl Bromide (CAS# 220239-69-0) is a useful research chemical. |
Molecular Weight: | 257.02 |
Molecular Formula: | C8H5BrF4 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)CBr)F |
InChI: | InChI=1S/C8H5BrF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2 |
InChI Key: | BYRMZRWUEAESEZ-UHFFFAOYSA-N |
Boiling Point: | 188.3 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
MDL: | MFCD00061174 |
LogP: | 3.73940 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210085369-A | 1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor, and the Use Thereof | 20191230 |
WO-2021137665-A1 | 1, 2, 3-triazole derivative compound as hsp90 inhibitor, and use thereof | 20191230 |
KR-20210076693-A | Fused pyrimidine derivatives substituted with a nitrogen-containing heterocyclic ring and their pharmaceutical use | 20191216 |
WO-2020243027-A1 | Compounds, compositions, and methods of use | 20190524 |
EP-3350187-A1 | Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use | 20150915 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.95108 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.95108 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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