QUINOLINE-8-BORONIC ACID, PINACOL ESTER

Iupac Name：8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Molecular Weight：255.124

Modify Date.: 2022-11-06 15:50

1. Names and Identifiers

1.1 Name: QUINOLINE-8-BORONIC ACID, PINACOL ESTER
1.2 Synonyms: QUINOLIN-8-YLBORONIC ACID PINACOL ESTER Quinoline, 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Quinoline-8-boronic acid pinacol ester hydrochloride QUINOLINE-8-BORONIC ACID, PICOL ESTER QUINOLINE-8-BORONIC ACID, PINACOL ESTER Quinoline-8-boronic acid, pinacol ester, HCl

1.6 Inchi: InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-5-7-11-8-6-10-17-13(11)12/h5-10H,1-4H3

2. Properties

3. MSDS

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/…if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

4. NMR Spectrum

5. Computational chemical data

Molecular Weight: 255.124g/mol
Molecular Formula: C₁₅H₁₈BNO₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 255.1430590
Monoisotopic Mass: 255.1430590
Complexity: 329
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 31.4
Heavy Atom Count: 19
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceJyMAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAACx8AAoHgAAAAAADEzBngQ+wPIIEACgAzRnRACCgCAxAiAI2CA4ZJgJIOLAkZGEIAhggADIyAcQgIAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==