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Home> Hot Product Listed 2   > 2-Methylpyridine-3-boronic acid pinacol ester
1193-24-4 structure

2-Methylpyridine-3-boronic acid pinacol ester

Iupac Name:4-hydroxy-1H-pyrimidin-6-one
CAS No.:1193-24-4
Molecular Weight:112.08700
Molecular Formula:C20H32BN3O4 (isomer)
Names and Identifiers
Synonyms

2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-(2-Methylpyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER Pyridine, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Inchi
InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChkey
DUFGYCAXVIUXIP-UHFFFAOYSA-N
Canonical Smiles
C1=C(N=CNC1=O)O
Properties
Density
1.202
Melting Point
>300°C(lit.)
Boiling Point
399.649 °C at 760 mmHg
HS Code
29335995
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S36-S37/39
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Chemical Inspection & Regulation Service Limited 2012
Saltigo GmbH 2015
Syngenta Ltd 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:112.08700g/mol
  • Molecular Formula:C20H32BN3O4
  • Compound Is Canonicalized:True
  • Exact Mass:112.027
  • Monoisotopic Mass:112.027
  • Complexity:171
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.7A^2
  • Heavy Atom Count:8
  • 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: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACACBgAQBAALAAgCo ACFTdACAAAEAIgABAIAIAEAAAAAACAAAAAAAEgAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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