3,5-Difluoroethylbenzene - CAS 117358-52-8
Catalog: |
BB003930 |
Product Name: |
3,5-Difluoroethylbenzene |
CAS: |
117358-52-8 |
Synonyms: |
1-ethyl-3,5-difluorobenzene |
IUPAC Name: | 1-ethyl-3,5-difluorobenzene |
Description: | 3,5-Difluoroethylbenzene (CAS# 117358-52-8 ) is a useful research chemical. |
Molecular Weight: | 142.15 |
Molecular Formula: | C8H8F2 |
Canonical SMILES: | CCC1=CC(=CC(=C1)F)F |
InChI: | InChI=1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3 |
InChI Key: | PFINYKRPUJCMCT-UHFFFAOYSA-N |
Boiling Point: | 127.5 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.087 g/cm3 |
Appearance: | Colorless or slightly yellow liquid |
MDL: | MFCD10000628 |
LogP: | 2.52720 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198981-A1 | Antiviral compounds and uses thereof | 20200401 |
WO-2021119249-A1 | Cyclophilin d inhibitors and uses thereof | 20191210 |
WO-2021113686-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021108198-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20191126 |
US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
Complexity: | 93.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.05940658 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.05940658 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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