3-Aminophenylboronic Acid Pinacol Ester - CAS 210907-84-9
Catalog: |
BB016601 |
Product Name: |
3-Aminophenylboronic Acid Pinacol Ester |
CAS: |
210907-84-9 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Aminophenylboronic Acid Pinacol Ester (CAS# 210907-84-9) is a useful research chemical. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N |
InChI: | InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3 |
InChI Key: | YMXIIVIQLHYKOT-UHFFFAOYSA-N |
Boiling Point: | 351.2 °C at 760 mmHg. |
Melting Point: | 90-94 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.05 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03453668 |
LogP: | 2.14920 |
GHS Hazard Statement: | H315 (97.87%): 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 |
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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: | 219.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 ?2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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