3',4',5'-Trifluoroacetophenone - CAS 220141-73-1
Catalog: |
BB017276 |
Product Name: |
3',4',5'-Trifluoroacetophenone |
CAS: |
220141-73-1 |
Synonyms: |
1-(3,4,5-trifluorophenyl)ethanone; 1-(3,4,5-trifluorophenyl)ethanone |
IUPAC Name: | 1-(3,4,5-trifluorophenyl)ethanone |
Description: | 3',4',5'-Trifluoroacetophenone (CAS# 220141-73-1) is a useful research chemical. |
Molecular Weight: | 174.12 |
Molecular Formula: | C8H5F3O |
Canonical SMILES: | CC(=O)C1=CC(=C(C(=C1)F)F)F |
InChI: | InChI=1S/C8H5F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3 |
InChI Key: | KXVIYAHOUAMVJX-UHFFFAOYSA-N |
Boiling Point: | 208.8 °C at 760 mmHg |
Density: | 1.303 g/cm3 |
MDL: | MFCD00083533 |
LogP: | 2.30650 |
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 |
WO-2021085653-A1 | 4-aminobut-2-enamide derivatives and salts thereof | 20191031 |
WO-2021001538-A1 | Novel galactoside inhibitor of galectins | 20190703 |
TW-202026284-A | Substituted tolyl fungicides | 20181106 |
CN-113260610-A | Substituted tolyl fungicides | 20181106 |
KR-20210088620-A | Substituted tolyl as a fungicide | 20181106 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.02924926 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.02924926 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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