5-Fluoro-2-(trifluoromethyl)benzoic acid - CAS 654-99-9
Catalog: |
BB032746 |
Product Name: |
5-Fluoro-2-(trifluoromethyl)benzoic acid |
CAS: |
654-99-9 |
Synonyms: |
5-fluoro-2-(trifluoromethyl)benzoic acid |
IUPAC Name: | 5-fluoro-2-(trifluoromethyl)benzoic acid |
Description: | 5-Fluoro-2-(trifluoromethyl)benzoic acid (CAS# 654-99-9) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | C1=CC(=C(C=C1F)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14) |
InChI Key: | BRFNBGWEOKQIND-UHFFFAOYSA-N |
Boiling Point: | 238.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.489 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00083521 |
LogP: | 2.54270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021083949-A1 | Bifunctional compounds for the treatment of cancer | 20191029 |
WO-2020231739-A2 | Compounds and methods for treating cancer | 20190510 |
JP-2020109086-A | Pharmaceutical composition | 20181228 |
JP-2021102653-A | Pharmaceutical composition | 20181228 |
JP-6868089-B2 | Medicine | 20181228 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.01474201 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.01474201 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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