4-Chlorophenylboronic Acid Pinacol Ester - CAS 195062-61-4
Catalog: |
BB015104 |
Product Name: |
4-Chlorophenylboronic Acid Pinacol Ester |
CAS: |
195062-61-4 |
Synonyms: |
2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Chlorophenylboronic Acid Pinacol Ester (CAS# 195062-61-4) is a useful research chemical. |
Molecular Weight: | 238.52 |
Molecular Formula: | C12H16ClO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3 |
InChI Key: | NYARTXMDWRAVIX-UHFFFAOYSA-N |
Boiling Point: | 308.7 °C at 760 mmHg |
Melting Point: | 50-55 °C (lit.) |
Flash Point: | 230.0 °F |
Purity: | 97 % |
Density: | 1.1 g/cm3 |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD05663875 |
LogP: | 2.63920 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111548269-A | Preparation method of diarylmethane structure compound | 20200429 |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
CN-110627823-A | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
CN-110627823-B | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
EP-3764434-A1 | Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells | 20190710 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0931876 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0931876 |
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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