3-(Trifluoromethyl)phenylacetone - CAS 21906-39-8
Catalog: |
BB017202 |
Product Name: |
3-(Trifluoromethyl)phenylacetone |
CAS: |
21906-39-8 |
Synonyms: |
1-[3-(trifluoromethyl)phenyl]propan-2-one |
IUPAC Name: | 1-[3-(trifluoromethyl)phenyl]propan-2-one |
Description: | 3-(Trifluoromethyl)phenylacetone (CAS# 21906-39-8 ) is a useful research chemical. |
Molecular Weight: | 202.17 |
Molecular Formula: | C10H9F3O |
Canonical SMILES: | CC(=O)CC1=CC(=CC=C1)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3 |
InChI Key: | JPHQCDCEBDRIOL-UHFFFAOYSA-N |
Boiling Point: | 89-90 ℃ (0.5 mmHg) |
Density: | 1.204 g/cm3 |
MDL: | MFCD00000397 |
LogP: | 2.83690 |
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-2021117057-A1 | Polymorph of n-ethyl-1-(3-(trifluoromethyl)phenyl)propan-2-amine hydrochloride and process for preparation thereof | 20191210 |
US-2020030260-A1 | Method for treating epilepsy | 20180727 |
WO-2020023923-A1 | Method for treating epilepsy | 20180727 |
CA-3106031-A1 | Method for treating epilepsy | 20180727 |
EP-3829558-A1 | Method for treating epilepsy | 20180727 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.06054939 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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