2-Chlorophenylboronic Acid Pinacol Ester - CAS 870195-94-1
Catalog: |
BB038175 |
Product Name: |
2-Chlorophenylboronic Acid Pinacol Ester |
CAS: |
870195-94-1 |
Synonyms: |
2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-Chlorophenylboronic Acid Pinacol Ester (CAS# 870195-94-1) is a useful research chemical. |
Molecular Weight: | 238.52 |
Molecular Formula: | C12H16ClO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3 |
InChI Key: | CDVCBWQNFHAZRD-UHFFFAOYSA-N |
Boiling Point: | 140-145 °C / 0.05 mmHg |
Density: | 1.103 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05663846 |
LogP: | 2.63920 |
GHS Hazard Statement: | H302 (100%): 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 |
KR-20210105559-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20200219 |
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KR-20210069770-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20191203 |
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Complexity: | 252 |
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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