4-Chloro-2-(trifluoromethyl)phenylboronic Acid - CAS 313545-41-4
Catalog: |
BB020891 |
Product Name: |
4-Chloro-2-(trifluoromethyl)phenylboronic Acid |
CAS: |
313545-41-4 |
Synonyms: |
[4-chloro-2-(trifluoromethyl)phenyl]boronic acid; [4-chloro-2-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-chloro-2-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Chloro-2-(trifluoromethyl)phenylboronic Acid (CAS# 313545-41-4) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H |
InChI Key: | YAPBOBGBYQQYHX-UHFFFAOYSA-N |
Boiling Point: | 287.6 ℃ at 760 mmHg |
Density: | 1.49 g/cm3 |
Solubility: | Insoluble |
Appearance: | Solid |
MDL: | MFCD04973086 |
LogP: | 1.03860 |
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 |
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Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0023217 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0023217 |
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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