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Home> Encyclopedia >   /  Chlorate  /  Chloride  /  Pharmaceutical Intermediates  /  Others  /  Pharmaceutical
1-(Cyclobutylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone structure
1-(Cyclobutylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone structure

1-(Cyclobutylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone

Iupac Name:potassium;chloride
CAS No.:7447-40-7
Molecular Weight:74.55130
1. Names and Identifiers
1.1 Name
1-(Cyclobutylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone
1.2 Synonyms

1-(Cyclobutylmethyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one 2(1H)-Pyridinone, 1-(cyclobutylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1.3 CAS No.
7447-40-7
1.4 CID
4873
1.5 Molecular Formula
C13H12O3 (isomer)
1.6 Inchi
InChI=1S/ClH.K/h1H;/q;+1/p-1
1.7 InChkey
WCUXLLCKKVVCTQ-UHFFFAOYSA-M
1.8 Canonical Smiles
[Cl-].[K+]
1.9 Isomers Smiles
[Cl-].[K+]
2. Properties
3.1 Melting point
770°C(lit.)
3.1 Refractive index
n20/D 1.334
3.1 Precise Quality
73.93260
3.1 PSA
0.00000
3.1 logP
-2.99600
3. Safety and Handling
4.1 Risk Statements
R36
4.1 Safety Statements
S24/25-S39-S26-S22-S23
4.1 Packing Group
II
4.1 Hazard Class
5.1
4.1 RIDADR
UN 1824 8 / PGII
4.1 WGK Germany
1
4.1 RTECS
TS8050000
4. 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

5. Computational chemical data
  • Molecular Weight:74.55130g/mol
  • Molecular Formula:C13H12O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:73.9325592
  • Monoisotopic Mass:73.9325592
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:2
  • 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:2
6. Question & Answer
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