trans-4-(Trifluoromethyl)cinnamic acid - CAS 16642-92-5
Catalog: |
BB012280 |
Product Name: |
trans-4-(Trifluoromethyl)cinnamic acid |
CAS: |
16642-92-5 |
Synonyms: |
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid |
IUPAC Name: | (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid |
Description: | trans-4-(Trifluoromethyl)cinnamic acid (CAS# 16642-92-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+ |
InChI Key: | ANRMAUMHJREENI-ZZXKWVIFSA-N |
Boiling Point: | 279.2 °C at 760 mmHg |
Melting Point: | 231-233 °C (lit.) |
Purity: | > 98.0 % (GC) |
Density: | 1.363 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00002696 |
LogP: | 2.80320 |
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 |
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PMID | Publication Date | Title | Journal |
22136907 | 20120101 | Synthesis and anticancer activity of 4β-alkylamidochalcone and 4β-cinnamido linked podophyllotoxins as apoptotic inducing agents | European journal of medicinal chemistry |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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