3-Fluoro-5-(trifluoromethyl)phenylacetic Acid - CAS 195447-79-1
Catalog: |
BB015129 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)phenylacetic Acid |
CAS: |
195447-79-1 |
Synonyms: |
2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid; 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid |
Description: | 3-Fluoro-5-(trifluoromethyl)phenylacetic Acid used as a synthetic intermediate in the preparation of kinase inhibitors and agonists. |
Molecular Weight: | 222.14 |
Molecular Formula: | C9H6F4O2 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)F)CC(=O)O |
InChI: | InChI=1S/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15) |
InChI Key: | LQIBHDUPSIQRPV-UHFFFAOYSA-N |
Boiling Point: | 246 °C at 760 mmHg |
Density: | 1.436 g/cm3 |
MDL: | MFCD00061187 |
LogP: | 2.47160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111153900-A | Pyrimidinium compounds, process for their preparation and their use | 20181107 |
CN-111153900-B | Pyrimidinium compounds, process for their preparation and their use | 20181107 |
CA-2934709-A1 | Serine/threonine kinase inhibitors | 20131230 |
CN-105980387-A | Serine/threonine kinase inhibitors | 20131230 |
CN-105980387-B | Serine/threonine kinase inhibitor | 20131230 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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