4'-Chloro-3'-(trifluoromethyl)acetophenone - CAS 129825-11-2
Catalog: |
BB007025 |
Product Name: |
4'-Chloro-3'-(trifluoromethyl)acetophenone |
CAS: |
129825-11-2 |
Synonyms: |
1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone; 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone |
IUPAC Name: | 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone |
Description: | 4'-Chloro-3'-(trifluoromethyl)acetophenone (CAS# 129825-11-2) is a useful research chemical. |
Molecular Weight: | 222.59 |
Molecular Formula: | C9H6ClF3O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
InChI: | InChI=1S/C9H6ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3 |
InChI Key: | UYNMUXTXDHJBEN-UHFFFAOYSA-N |
Boiling Point: | 236.6 °C at 760 mmHg |
Density: | 1.337 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD03094146 |
LogP: | 3.56140 |
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-2020043866-A1 | Compounds | 20180831 |
EP-3843844-A1 | Compounds | 20180831 |
US-2021171475-A1 | Compounds | 20180831 |
TW-202003490-A | Therapeutic compounds and methods of use thereof | 20180522 |
WO-2019226687-A1 | Pyrididne-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0059270 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0059270 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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