4'-(Trifluoromethyl)acetophenone - CAS 709-63-7
Catalog: |
BB034277 |
Product Name: |
4'-(Trifluoromethyl)acetophenone |
CAS: |
709-63-7 |
Synonyms: |
1-[4-(trifluoromethyl)phenyl]ethanone |
IUPAC Name: | 1-[4-(trifluoromethyl)phenyl]ethanone |
Description: | 4'-(Trifluoromethyl)acetophenone (CAS# 709-63-7) is a useful research chemical. |
Molecular Weight: | 188.15 |
Molecular Formula: | C9H7F3O |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3 |
InChI Key: | HHAISVSEJFEWBZ-UHFFFAOYSA-N |
Boiling Point: | 79-80 ℃ (8 mmHg) |
Melting Point: | 30-33 ℃ |
Purity: | 95 % |
Density: | 0.92 g/cm3 |
Appearance: | White solid. |
Storage: | Flammables area |
MDL: | MFCD00000401 |
LogP: | 2.90800 |
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 |
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PMID | Publication Date | Title | Journal |
15713383 | 20050301 | Biaryls and heterobiaryls as alpha-glucosidase and protein tyrosine phosphatase inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 190 |
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: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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