2-(Trifluoromethoxy)benzoic acid - CAS 1979-29-9
Catalog: |
BB015299 |
Product Name: |
2-(Trifluoromethoxy)benzoic acid |
CAS: |
1979-29-9 |
Synonyms: |
Benzoic acid, 2-(trifluoromethoxy)-; o-Anisic acid, α,α,α-trifluoro-; 2-Trifluoromethoxybenzoic acid; o-(Trifluoromethoxy)benzoic acid; α,α,α-Trifluoro-o-anisic acid |
IUPAC Name: | 2-(trifluoromethoxy)benzoic acid |
Molecular Weight: | 206.12 |
Molecular Formula: | C8H5F3O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
InChI Key: | JMYSPFGUBNENSE-UHFFFAOYSA-N |
Boiling Point: | 231.6±35.0°C at 760 mmHg |
Melting Point: | 79-80°C |
Purity: | ≥95% |
Density: | 1.447±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00052325 |
LogP: | 2.28340 |
GHS Hazard Statement: | H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021170886-A2 | Electronic device | 20200806 |
WO-2021200062-A1 | Photosensitive particles, resist composition, photosensitive composition, method for producing photosensitive particles, and pattern forming method | 20200331 |
US-11091447-B2 | UBE2K modulators and methods for their use | 20200103 |
US-2021214320-A1 | Ube2k modulators and methods for their use | 20200103 |
WO-2021138540-A1 | Polycyclic amides as ube2k modulators for treating cancer | 20200103 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.01907850 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.01907850 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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