1-(Trifluoromethyl)cyclobutanecarboxylic acid - CAS 277756-45-3
Catalog: |
BB019668 |
Product Name: |
1-(Trifluoromethyl)cyclobutanecarboxylic acid |
CAS: |
277756-45-3 |
Synonyms: |
1-(trifluoromethyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(trifluoromethyl)cyclobutane-1-carboxylic acid |
Description: | 1-(Trifluoromethyl)cyclobutanecarboxylic acid (CAS# 277756-45-3) is a useful research chemical. |
Molecular Weight: | 168.11 |
Molecular Formula: | C6H7F3O2 |
Canonical SMILES: | C1CC(C1)(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11) |
InChI Key: | HYRCPSRIIWIESW-UHFFFAOYSA-N |
Boiling Point: | 76 ℃ / 14 mmHg |
Melting Point: | 86-88 ℃ |
Purity: | 95 % |
Density: | 1.330 g/cm3 |
Appearance: | White to off-white solid or colorless to yellow liquid |
MDL: | MFCD03425197 |
LogP: | 1.80360 |
GHS Hazard Statement: | H301 (82.61%): 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 |
WO-2021203023-A1 | Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
CN-111205255-A | CMe-containing liquid crystal display2CF3Synthesis method of radical flavonoid compound | 20191118 |
WO-2021066088-A1 | Novel triazine derivative | 20191002 |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.03981395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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