2-Fluoro-3-(trifluoromethyl)phenylacetic acid - CAS 194943-83-4
Catalog: |
BB015093 |
Product Name: |
2-Fluoro-3-(trifluoromethyl)phenylacetic acid |
CAS: |
194943-83-4 |
Synonyms: |
Benzeneacetic acid, 2-fluoro-3-(trifluoromethyl)-; 2-Fluoro-3-(trifluoromethyl)benzeneacetic acid |
IUPAC Name: | 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid |
Molecular Weight: | 222.14 |
Molecular Formula: | C9H6F4O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)CC(=O)O |
InChI: | InChI=1S/C9H6F4O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15) |
InChI Key: | IZXLNEHPKQVCAE-UHFFFAOYSA-N |
Boiling Point: | 258.3±35.0°C at 760 mmHg |
Melting Point: | 113-116°C |
Purity: | 95% |
Density: | 1.436±0.06 g/cm3 |
Appearance: | White Crystalline Solid |
Storage: | Store at RT |
LogP: | 2.47160 |
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-109053630-A | A kind of benzothiazole analog derivative and application thereof | 20180822 |
US-2013085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | 20110929 |
US-8669255-B2 | Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers | 20110929 |
WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | 20110929 |
AU-2010258566-A1 | Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases | 20090611 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.03039208 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.03039208 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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