4-(Trifluoromethyl)hydrocinnamic acid - CAS 53473-36-2
Catalog: |
BB028238 |
Product Name: |
4-(Trifluoromethyl)hydrocinnamic acid |
CAS: |
53473-36-2 |
Synonyms: |
3-[4-(trifluoromethyl)phenyl]propanoic acid |
IUPAC Name: | 3-[4-(trifluoromethyl)phenyl]propanoic acid |
Description: | 4-(Trifluoromethyl)hydrocinnamic acid (CAS# 53473-36-2) is also applied in pesticides, medicines, dyes and in functional materials preparation because of it's excellent bioactive properties. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | C1=CC(=CC=C1CCC(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15) |
InChI Key: | OEIUMLSCWINLBB-UHFFFAOYSA-N |
Boiling Point: | 0 °C |
Melting Point: | 106-110 °C |
Purity: | 95 % |
Density: | 1.307 g/cm3 |
Appearance: | White to pale yellow crystalline powder |
MDL: | MFCD00674032 |
LogP: | 2.72260 |
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-112679336-A | Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal | 20201229 |
WO-2021062030-A1 | Diterpenoid compounds that act on protein kinase c (pkc) | 20190924 |
CN-111763164-A | Preparation method and application of ortho-carbonyl amino substituted benzene derivatives | 20190402 |
WO-2020199945-A1 | Ortho-carbonyl amino-substituted benzene derivative, and preparation method therefor and use thereof | 20190402 |
CN-113272285-A | Oxadiazole-containing compound and pharmaceutical composition containing the same | 20180921 |
PMID | Publication Date | Title | Journal |
21582563 | 20090325 | 3-[4-(Trifluoro-meth-yl)phen-yl]propanoic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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