4-(Trifluoromethoxy)phenylacetic acid - CAS 4315-07-5
Catalog: |
BB025340 |
Product Name: |
4-(Trifluoromethoxy)phenylacetic acid |
CAS: |
4315-07-5 |
Synonyms: |
Benzeneacetic acid, 4-(trifluoromethoxy)-; 4-(Trifluoromethoxy)benzeneacetic acid; Acetic acid, [p-(trifluoromethoxy)phenyl]- |
IUPAC Name: | 2-[4-(trifluoromethoxy)phenyl]acetic acid |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14) |
InChI Key: | ZMTIBXQPXBUWPQ-UHFFFAOYSA-N |
Boiling Point: | 260.6±35.0°C at 760 mmHg |
Melting Point: | 86-87°C |
Purity: | 95% |
Density: | 1.399±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00061239 |
LogP: | 2.21230 |
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 |
WO-2021102359-A2 | Taspase1 inhibitors and uses thereof | 20191122 |
WO-2021063915-A1 | Antibacterial compounds | 20190930 |
EP-3825303-A1 | T-type calcium channel blocker | 20180717 |
WO-2020007807-A1 | Lactate enhancing compounds and uses thereof | 20180702 |
EP-3818046-A1 | Lactate enhancing compounds and uses thereof | 20180702 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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