2-(4-Trifluoromethylphenyl)acetaldehyde - CAS 30934-62-4
Catalog: |
BB020755 |
Product Name: |
2-(4-Trifluoromethylphenyl)acetaldehyde |
CAS: |
30934-62-4 |
Synonyms: |
2-[4-(trifluoromethyl)phenyl]acetaldehyde; 2-[4-(trifluoromethyl)phenyl]acetaldehyde |
IUPAC Name: | 2-[4-(trifluoromethyl)phenyl]acetaldehyde |
Description: | 2-(4-Trifluoromethylphenyl)acetaldehyde (CAS# 30934-62-4) is a useful research chemical. |
Molecular Weight: | 188.15 |
Molecular Formula: | C9H7F3O |
Canonical SMILES: | C1=CC(=CC=C1CC=O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,6H,5H2 |
InChI Key: | JILROKHULOFASY-UHFFFAOYSA-N |
LogP: | 2.44680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P280, P285, P301+P312, P304+P341, P305+P351+P338, P330, P337+P313, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 20191231 |
WO-2021136339-A1 | Amide compound with bicyclic structure and use thereof in drug | 20191231 |
CN-108689942-A | Nitrogenous dicyclic compound and its preparation method and application | 20170411 |
EP-3239123-A1 | Method of preparing difluorinated alcohol compound | 20160428 |
EP-3239123-B1 | Method of preparing difluorinated alcohol compound | 20160428 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.04489933 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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