2,6-Bis(trifluoromethyl)phenylboronic Acid - CAS 681812-07-7
Catalog: |
BB033490 |
Product Name: |
2,6-Bis(trifluoromethyl)phenylboronic Acid |
CAS: |
681812-07-7 |
Synonyms: |
[2,6-bis(trifluoromethyl)phenyl]boronic acid; [2,6-bis(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2,6-bis(trifluoromethyl)phenyl]boronic acid |
Description: | 2,6-Bis(trifluoromethyl)phenylboronic Acid (CAS# 681812-07-7) is a useful research chemical. |
Molecular Weight: | 257.93 |
Molecular Formula: | C8H5F6O2B |
Canonical SMILES: | B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H5BF6O2/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16)17/h1-3,16-17H |
InChI Key: | WAMPGNNEOZGBHR-UHFFFAOYSA-N |
Boiling Point: | 258.3 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04039321 |
LogP: | 1.40400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108658826-B | Method for preparing vildagliptin | 20180602 |
CN-108503571-B | Synthetic method of vildagliptin | 20180602 |
US-10548856-B2 | Compounds and methods for modulating serotonin receptors in the periphery | 20150519 |
US-2018125798-A1 | Compounds and Methods for Modulating Serotonin Receptors in the Periphery | 20150519 |
US-2017081273-A1 | Serotonin Receptor-Targeting Compounds and Methods | 20140519 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.0286785 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.0286785 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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