2-Methyl-4-(trifluoromethyl)phenylboronic Acid - CAS 957034-45-6
Catalog: |
BB041809 |
Product Name: |
2-Methyl-4-(trifluoromethyl)phenylboronic Acid |
CAS: |
957034-45-6 |
Synonyms: |
[2-methyl-4-(trifluoromethyl)phenyl]boronic acid; [2-methyl-4-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2-methyl-4-(trifluoromethyl)phenyl]boronic acid |
Description: | 2-Methyl-4-(trifluoromethyl)phenylboronic Acid (CAS# 957034-45-6) is a useful research chemical. |
Molecular Weight: | 203.95 |
Molecular Formula: | C8H8F3O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(F)(F)F)C)(O)O |
InChI: | InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3 |
InChI Key: | USEHFBIGOATLIA-UHFFFAOYSA-N |
Boiling Point: | 271.9 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
MDL: | MFCD08689550 |
LogP: | 0.69360 |
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-2020238785-A1 | Methyl- and trifluoromethyl-containing disubstituted sulfonamide selective bcl-2 inhibitor | 20190524 |
WO-2019149965-A1 | Compounds and compositions for the treatment of pain | 20180205 |
AU-2019213484-A1 | Compounds and compositions for the treatment of pain | 20180205 |
CN-111683660-A | Compounds and compositions for the treatment of pain | 20180205 |
EP-3749305-A1 | Compounds and compositions for the treatment of pain | 20180205 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0569441 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0569441 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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