2,2,2-Trichloroethyl acetate - CAS 625-24-1
Catalog: |
BB031638 |
Product Name: |
2,2,2-Trichloroethyl acetate |
CAS: |
625-24-1 |
Synonyms: |
2,2,2-trichloroethyl acetate |
IUPAC Name: | 2,2,2-trichloroethyl acetate |
Description: | 2,2,2-Trichloroethyl acetate (CAS# 625-24-1 ) is a useful research chemical. |
Molecular Weight: | 191.44 |
Molecular Formula: | C4H5Cl3O2 |
Canonical SMILES: | CC(=O)OCC(Cl)(Cl)Cl |
InChI: | InChI=1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3 |
InChI Key: | XHAXVDWUMCHTCY-UHFFFAOYSA-N |
Boiling Point: | 238.3 ℃ at 760 mmHg |
Density: | 1.401 g/cm3 |
MDL: | MFCD00142742 |
LogP: | 1.91970 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021179570-A1 | Processes and intermediates for preparing mcl1 inhibitors | 20191126 |
WO-2021108254-A1 | Processes and intermediates for preparing mcl1 inhibitors | 20191126 |
US-10696793-B2 | Process for preparing polyimides | 20180816 |
US-2020055986-A1 | Process for preparing polyimides | 20180816 |
US-2019345169-A1 | Kras g12c inhibitors and methods of using the same | 20180510 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.935512 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.935512 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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