2,6-Bis(trifluoromethyl)benzoic acid - CAS 24821-22-5
Catalog: |
BB018631 |
Product Name: |
2,6-Bis(trifluoromethyl)benzoic acid |
CAS: |
24821-22-5 |
Synonyms: |
2,6-bis(trifluoromethyl)benzoic acid |
IUPAC Name: | 2,6-bis(trifluoromethyl)benzoic acid |
Description: | 2,6-Bis(trifluoromethyl)benzoic acid (CAS# 24821-22-5) is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 2,6-Bis(trifluoromethyl)benzoic acid has also been identified as a chemical hybridizing agent in wheat. |
Molecular Weight: | 258.12 |
Molecular Formula: | C9H4F6O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17) |
InChI Key: | XZNLSDPNMNWCRE-UHFFFAOYSA-N |
Boiling Point: | 219.5 ℃ at 760 mmHg |
Melting Point: | 138-140 ℃ (lit.) |
Purity: | 98 % |
Solubility: | Soluble in water. |
Appearance: | White crystalline powder |
MDL: | MFCD00000376 |
LogP: | 3.42240 |
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-2021170886-A2 | Electronic device | 20200806 |
WO-2021201196-A1 | Film-forming composition | 20200331 |
CN-111499657-A | Synthetic method of isoquinoline oxazolidine | 20200324 |
US-2020241414-A1 | Resist composition and patterning process | 20190129 |
US-2020192222-A1 | Resist composition and patterning process | 20181218 |
PMID | Publication Date | Title | Journal |
22128876 | 20120112 | Studies toward novel peptidomimetic inhibitors of thioredoxin-thioredoxin reductase system | Journal of medicinal chemistry |
21754381 | 20110501 | A new polymorph of 2,6-bis-(trifluoro-meth-yl)benzoic acid | Acta crystallographica. Section E, Structure reports online |
21583086 | 20090507 | 2,6-Bis(trifluoro-meth-yl)benzoic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.01154834 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.01154834 |
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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