4-Fluoro-3-(trifluoromethyl)phenylacetic acid - CAS 220227-47-4
Catalog: |
BB017286 |
Product Name: |
4-Fluoro-3-(trifluoromethyl)phenylacetic acid |
CAS: |
220227-47-4 |
Synonyms: |
2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid |
Description: | 4-Fluoro-3-(trifluoromethyl)phenylacetic acid (CAS# 220227-47-4 ) is a useful research chemical. |
Molecular Weight: | 222.14 |
Molecular Formula: | C9H6F4O2 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)C(F)(F)F)F |
InChI: | InChI=1S/C9H6F4O2/c10-7-2-1-5(4-8(14)15)3-6(7)9(11,12)13/h1-3H,4H2,(H,14,15) |
InChI Key: | MGQPQAYFSXCYPW-UHFFFAOYSA-N |
Boiling Point: | 263.1 °C at 760 mmHg |
Melting Point: | 51-55 °C(lit.) |
Purity: | 98 % |
Density: | 1.436 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00061190 |
LogP: | 2.47160 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
US-2012157494-A1 | Isoindolyl compounds | 20101216 |
AU-2011232516-A1 | Chemical compounds | 20100325 |
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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