2-Fluoro-4-(trifluoromethyl)benzaldehyde - CAS 89763-93-9
Catalog: |
BB039585 |
Product Name: |
2-Fluoro-4-(trifluoromethyl)benzaldehyde |
CAS: |
89763-93-9 |
Synonyms: |
2-fluoro-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 2-fluoro-4-(trifluoromethyl)benzaldehyde |
Description: | 2-Fluoro-4-(trifluoromethyl)benzaldehyde (CAS# 89763-93-9) is a useful research chemical. |
Molecular Weight: | 192.11 |
Molecular Formula: | C8H4F4O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)F)C=O |
InChI: | InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H |
InChI Key: | KFEHNXLFIGPWNB-UHFFFAOYSA-N |
Boiling Point: | 118 °C |
Purity: | 98 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD00061310 |
LogP: | 2.65700 |
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 |
CN-113501787-A | Method for synthesizing 6-trifluoromethyl-3-methylindazole | 20210820 |
CN-113292485-A | Benzylpiperazine urea TRPV1 antagonistic and MOR agonistic double-target-point medicine, preparation method and application | 20210608 |
US-2021323938-A1 | Synthesis of a Monoacylglycerol Lipase Inhibitor | 20200421 |
JP-2021098691-A | Compounds that are active against nuclear receptors | 20191220 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01982740 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01982740 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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