Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate - CAS 54094-19-8
Catalog: |
BB043760 |
Product Name: |
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate |
CAS: |
54094-19-8 |
Synonyms: |
[2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic; Dimethyl{2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl}phosphonate; [2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic acid dimethyl ester; [2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic ac |
IUPAC Name: | 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one |
Description: | Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate (CAS# 54094-19-8 ) is a useful research chemical. |
Molecular Weight: | 326.21 |
Molecular Formula: | C12H14F3O5P |
Canonical SMILES: | COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC |
InChI: | InChI=1S/C12H14F3O5P/c1-18-21(17,19-2)8-10(16)7-20-11-5-3-4-9(6-11)12(13,14)15/h3-6H,7-8H2,1-2H3 |
InChI Key: | MBGWNNJXMYHKQO-UHFFFAOYSA-N |
Boiling Point: | 378.6 °C at 760 mmHg |
Purity: | Min. 97 % |
Density: | 1.32 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.05309503 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.05309503 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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