2-Fluoro-5-formylphenylboronic acid pinacol ester - CAS 1112208-82-8
Catalog: |
BB002740 |
Product Name: |
2-Fluoro-5-formylphenylboronic acid pinacol ester |
CAS: |
1112208-82-8 |
Synonyms: |
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 2-Fluoro-5-formylphenylboronic acid pinacol ester (CAS# 1112208-82-8) is a useful research chemical. |
Molecular Weight: | 250.07 |
Molecular Formula: | C13H16BFO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)F |
InChI: | InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3 |
InChI Key: | WHYMLQVABFAGEK-UHFFFAOYSA-N |
Melting Point: | 35-40 ℃ |
Flash Point: | 230.0 °F - closed cup |
Purity: | 95 % |
Storage: | 2-8 ℃ |
LogP: | 1.93740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2011096461-A1 | Quinoline derivative | 20100203 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1176527 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1176527 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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