4-Cyano-2-fluorophenylboronic Acid Pinacol Ester - CAS 1035235-29-0
Catalog: |
BB001166 |
Product Name: |
4-Cyano-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1035235-29-0 |
Synonyms: |
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 4-Cyano-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1035235-29-0) is a useful research chemical. |
Molecular Weight: | 247.07 |
Molecular Formula: | C13H15FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)F |
InChI: | InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7H,1-4H3 |
InChI Key: | FEUINZSEHIJUBU-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD09998162 |
LogP: | 1.99658 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20200228 |
EP-3613744-A1 | Organic molecules for optoelectronic devices | 20180821 |
KR-20200021892-A | Organic molecules for optoelectronic devices | 20180821 |
WO-2020035495-A1 | Organic molecules for optoelectronic devices | 20180814 |
EP-3837255-A1 | Organic molecules for optoelectronic devices | 20180814 |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.117987 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.117987 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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