2-(Dimethylamino)phenylboronic Acid Pinacol Ester - CAS 832114-08-6
Catalog: |
BB036989 |
Product Name: |
2-(Dimethylamino)phenylboronic Acid Pinacol Ester |
CAS: |
832114-08-6 |
Synonyms: |
N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 2-(Dimethylamino)phenylboronic Acid Pinacol Ester (CAS# 832114-08-6) is a useful research chemical. |
Molecular Weight: | 247.14 |
Molecular Formula: | C14H22NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N(C)C |
InChI: | InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-7-8-10-12(11)16(5)6/h7-10H,1-6H3 |
InChI Key: | MHFTXKKNHASNEZ-UHFFFAOYSA-N |
Boiling Point: | 338.9 °C at 760 mmHg |
Melting Point: | 50-54 °C |
Flash Point: | >230 °F |
Purity: | 97 % |
Density: | 1.01 g/cm3 |
Appearance: | White to yellow and faint beige to beige powder or crystals |
LogP: | 2.05180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1743591 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1743591 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 21.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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