ChemicalBook--->CAS DataBase List--->872041-85-5

872041-85-5

872041-85-5 Structure

872041-85-5 Structure
IdentificationBack Directory
[Name]

5-CHLORO-3-PYRIDINEBORONIC ACID
[CAS]

872041-85-5
[Synonyms]

3-Borono-5-chloropyridine
5-Chloropyridne-3-boronic acid
3-Chloropyridine-5-boronic acid
5-CHLORO-3-PYRIDINEBORONIC ACID
5-CHLOROPYRIDINE-3-BORONIC ACID
5-CHLOROPYRIDIN-3-YLBORONIC ACID
(3-Chloro-5-pyridyl)boronic acid
(5-Chloro-3-pyridyl)boronic acid
5-CHLORO-3-PYRIDINYL BORONIC ACID
(3-Chloropyridin-5-yl)boronic acid
5-chloropyridin-3-yl-3-boronic acid
(5-chloropyridine-3-yl) boronic acid
5-Chloro-3-pyridineboronic acid >=95%
Boronic acid, B-(5-chloro-3-pyridinyl)-
(5-Chloropyridin-3-yl)boronic acid ISO 9001:2015 REACH
[EINECS(EC#)]

677-212-0
[Molecular Formula]

C5H5BClNO2
[MDL Number]

MFCD06798243
[MOL File]

872041-85-5.mol
[Molecular Weight]

157.36
Chemical PropertiesBack Directory
[Melting point ]

255-260℃
[Boiling point ]

335.3±52.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

5.91±0.10(Predicted)
[color ]

White
[InChI]

1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
[InChIKey]

NJXYBTMCTZAUEE-UHFFFAOYSA-N
[SMILES]

OB(O)c1cncc(Cl)c1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

5-Chloro-3-pyridineboronic acid can be used as an intermediate:
  • In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging.
  • In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064.
  • In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors.
  • In the synthesis of ATAD2 bromodomain inhibitors.

Spectrum DetailBack Directory
[Spectrum Detail]

(5-Chloropyridin-3-yl)boronic acid(872041-85-5)1HNMR
(5-Chloropyridin-3-yl)boronic acid(872041-85-5)1HNMR
(5-Chloropyridin-3-yl)boronic acid(872041-85-5)13CNMR
(5-Chloropyridin-3-yl)boronic acid(872041-85-5)FT-IR
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