3-(Trifluoromethyl)phenylboronic Acid Pinacol Ester - CAS 325142-82-3
Catalog: |
BB021318 |
Product Name: |
3-(Trifluoromethyl)phenylboronic Acid Pinacol Ester |
CAS: |
325142-82-3 |
Synonyms: |
4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
Description: | 3-(Trifluoromethyl)phenylboronic Acid Pinacol Ester (CAS# 325142-82-3) is a useful research chemical. |
Molecular Weight: | 272.07 |
Molecular Formula: | C13H16F3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(F)(F)F |
InChI: | InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-6-9(8-10)13(15,16)17/h5-8H,1-4H3 |
InChI Key: | GJNOCGLTCQPYAC-UHFFFAOYSA-N |
Boiling Point: | 297.3 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
MDL: | MFCD05863925 |
LogP: | 3.00460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880658-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3658538-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20170724 |
WO-2019023145-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | 20170724 |
JP-2020528889-A | Compounds and compositions for treating conditions associated with NLRP activity | 20170724 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1195444 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1195444 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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