3-(Trifluoromethoxy)cinnamic acid - CAS 168833-80-5
Catalog: |
BB012495 |
Product Name: |
3-(Trifluoromethoxy)cinnamic acid |
CAS: |
168833-80-5 |
Synonyms: |
2-Propenoic acid, 3-[3-(trifluoromethoxy)phenyl]-; 3-[3-(Trifluoromethoxy)phenyl]-2-propenoic acid; 3-(3-Trifluoromethoxyphenyl)acrylic acid |
Related CAS: | 175675-63-5 (2E-isomer)
|
IUPAC Name: | 3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid |
Molecular Weight: | 232.16 |
Molecular Formula: | C10H7F3O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C=CC(=O)O |
InChI: | InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15) |
InChI Key: | CLKZZEYGXRWYNI-UHFFFAOYSA-N |
Boiling Point: | 285.5±35.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.403±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Off-white crystalline powder |
MDL: | MFCD00066337 |
LogP: | 2.68300 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20200080615-A | Plating Composition and Method for Forming The Solder Bump | 20181227 |
CN-106187891-A | There is compound of anti-Alzheimer disease effect and preparation method and application | 20160718 |
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WO-2017125946-A1 | (e)-4-(4-acrylamidophenoxy)-n-methylpicolinamide conjugates as potential anticancer agents | 20160120 |
US-2021163413-A1 | (e)-4-(4-acrylamidophenoxy)-n-methylpicolinamide conjugates as potential anticancer agents | 20160120 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 232.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.03472857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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