4-Chloro-2-fluorophenylboronic Acid - CAS 160591-91-3
Catalog: |
BB011647 |
Product Name: |
4-Chloro-2-fluorophenylboronic Acid |
CAS: |
160591-91-3 |
Synonyms: |
(4-chloro-2-fluorophenyl)boronic acid; (4-chloro-2-fluorophenyl)boronic acid |
IUPAC Name: | (4-chloro-2-fluorophenyl)boronic acid |
Description: | 4-Chloro-2-fluorophenylboronic Acid (CAS# 160591-91-3) is a useful research chemical. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5ClFO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)Cl)F)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H |
InChI Key: | YBNDRTRLXPEWKQ-UHFFFAOYSA-N |
Boiling Point: | 289.2 ℃ at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD02684293 |
LogP: | 0.15890 |
GHS Hazard Statement: | H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113024512-A | Aromatic heterocyclic compound used as electron transport material and application thereof | 20210330 |
CN-113045553-A | Aza-aromatic compound used as electron transport material and application thereof | 20210330 |
CN-112321521-A | Electron transport material, organic electroluminescent device and display device | 20201106 |
CN-112174918-A | Compound, hole transport material, organic electroluminescent device and display device | 20200904 |
CN-112125892-A | Compound, electron transport material and organic electroluminescent device | 20200901 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0055154 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0055154 |
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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