2-(Trifluoromethoxy)benzaldehyde - CAS 94651-33-9
Catalog: |
BB041446 |
Product Name: |
2-(Trifluoromethoxy)benzaldehyde |
CAS: |
94651-33-9 |
Synonyms: |
2-(trifluoromethoxy)benzaldehyde |
IUPAC Name: | 2-(trifluoromethoxy)benzaldehyde |
Description: | 2-(Trifluoromethoxy)benzaldehyde (CAS# 94651-33-9) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)OC(F)(F)F |
InChI: | InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H |
InChI Key: | CPHXLFKIUVVIOQ-UHFFFAOYSA-N |
Boiling Point: | 77 ℃ |
Purity: | 98 % |
Density: | 1.332 g/cm3 |
Appearance: | Liquid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00042405 |
LogP: | 2.39770 |
GHS Hazard Statement: | H315 (91.67%): 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 |
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PMID | Publication Date | Title | Journal |
22182575 | 20120115 | Structure-activity relationships of 2-amino-3-aroyl-4-[(4-arylpiperazin-1-yl)methyl]thiophenes. Part 2: Probing the influence of diverse substituents at the phenyl of the arylpiperazine moiety on allosteric enhancer activity at the A₁ adenosine receptor | Bioorganic & medicinal chemistry |
21160913 | 20101111 | Intramolecular hydroxycarbene C-H-insertion: The curious case of (o-methoxyphenyl)hydroxycarbene | Beilstein journal of organic chemistry |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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