2-(Trifluoromethyl)benzophenone - CAS 727-99-1
Catalog: |
BB034694 |
Product Name: |
2-(Trifluoromethyl)benzophenone |
CAS: |
727-99-1 |
Synonyms: |
phenyl-[2-(trifluoromethyl)phenyl]methanone |
IUPAC Name: | phenyl-[2-(trifluoromethyl)phenyl]methanone |
Description: | 2-(Trifluoromethyl)benzophenone (CAS# 727-99-1) is a useful research chemical. |
Molecular Weight: | 250.22 |
Molecular Formula: | C14H9F3O |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(F)(F)F |
InChI: | InChI=1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H |
InChI Key: | JXIWJBWMQXDALU-UHFFFAOYSA-N |
Boiling Point: | 369 °C at 760 mmHg |
Density: | 1.6 g/cm3 |
Appearance: | Yellow crystal powde |
MDL: | MFCD00000377 |
LogP: | 3.93640 |
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-112608222-A | Method for preparing aldehyde ketone compound by olefin oxidation | 20201203 |
WO-2021038034-A1 | Activity based probes | 20190828 |
CN-110407791-A | Alpha-substituted isochromanic derivative and preparation method thereof | 20190822 |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
WO-2020250949-A1 | Method for manufacturing 1-halo-2-fluoroethylene | 20190610 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.06054939 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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