2-Fluoro-6-(trifluoromethyl)benzoic acid - CAS 32890-94-1
Catalog: |
BB021465 |
Product Name: |
2-Fluoro-6-(trifluoromethyl)benzoic acid |
CAS: |
32890-94-1 |
Synonyms: |
2-fluoro-6-(trifluoromethyl)benzoic acid |
IUPAC Name: | 2-fluoro-6-(trifluoromethyl)benzoic acid |
Description: | 2-Fluoro-6-(trifluoromethyl)benzoic acid (CAS# 32890-94-1) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H4F4O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14) |
InChI Key: | LNARMXLVVGHCRP-UHFFFAOYSA-N |
Boiling Point: | 231.9 °C at 760 mmHg |
Melting Point: | 84-85 °C |
Purity: | 98 % |
Density: | 1.489 g/cm3 |
Appearance: | White to pale yellowish crystalline chunks |
MDL: | MFCD00040981 |
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 |
CN-112679374-A | Preparation method of 2-fluoro-6- (trifluoromethyl) benzamide | 20210112 |
WO-2021170886-A2 | Electronic device | 20200806 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CN-111909040-A | Preparation method of Elagolix intermediate 2-fluoro-6-trifluoromethylbenzylamine | 20190510 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
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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