3',5'-Bis(trifluoromethyl)propiophenone - CAS 85068-34-4
Catalog: |
BB037453 |
Product Name: |
3',5'-Bis(trifluoromethyl)propiophenone |
CAS: |
85068-34-4 |
Synonyms: |
1-[3,5-bis(trifluoromethyl)phenyl]-1-propanone; 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one |
Description: | 3',5'-Bis(trifluoromethyl)propiophenone (CAS# 85068-34-4) is a useful research chemical. |
Molecular Weight: | 270.17 |
Molecular Formula: | C11H8F6O |
Canonical SMILES: | CCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3 |
InChI Key: | VLRWCHKOSBUGMB-UHFFFAOYSA-N |
Boiling Point: | 185.2 °C at 760 mmHg, 72 °C / 7 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD00009911 |
LogP: | 4.31690 |
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-109694360-A | A kind of preparation method of Aprepitant intermediate | 20181228 |
CN-108441433-A | Rhodotorula mucilaginosa NQ1 and the application in preparing chiral alcohol | 20180331 |
US-2021015793-A1 | Compounds for treating cns- and neurodegenerative diseases | 20180319 |
CN-103773724-A | Rhodococcus erythropolis XS1012 and application thereof in preparation of chiral alcohol | 20140117 |
CN-103773724-B | Rhodococcus XS1012 and preparing the application in chiral alcohol | 20140117 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.04793385 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.04793385 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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