2-Fluoro-5-(trifluoromethyl)benzoic acid - CAS 115029-23-7
Catalog: |
BB003469 |
Product Name: |
2-Fluoro-5-(trifluoromethyl)benzoic acid |
CAS: |
115029-23-7 |
Synonyms: |
2-fluoro-5-(trifluoromethyl)benzoic acid |
IUPAC Name: | 2-fluoro-5-(trifluoromethyl)benzoic acid |
Description: | 2-Fluoro-5-(trifluoromethyl)benzoic acid (CAS# 115029-23-7) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C(=O)O)F |
InChI: | InChI=1S/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14) |
InChI Key: | LIFKXWNFWIUMJT-UHFFFAOYSA-N |
Boiling Point: | 235.8 °C at 760 mmHg |
Melting Point: | 101-102 °C |
Purity: | 98 % |
Density: | 1.489 g/cm3 |
Appearance: | White to off white powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00061292 |
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-2021142420-A1 | PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN | 20200110 |
US-2021139517-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2021092115-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
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: | 3.2 |
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