4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene - CAS 214360-58-4
Catalog: |
BB016857 |
Product Name: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene |
CAS: |
214360-58-4 |
Synonyms: |
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene (CAS# 214360-58-4) is a useful research chemical. |
Molecular Weight: | 222.06 |
Molecular Formula: | C12H16BFO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3 |
InChI Key: | SBWKQMCGTSWDPE-UHFFFAOYSA-N |
Boiling Point: | 279.4 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.05 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD03453665 |
LogP: | 2.12490 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021180235-A1 | Inhibitor of enhancer of zeste homologue 2, and use thereof | 20200313 |
CN-111072721-A | Compound containing bispyrazole ring, intermediate and application thereof | 20191231 |
CN-111100165-A | Preparation method of compound containing bispyrazole ring and intermediate thereof | 20191231 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1227381 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1227381 |
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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