ChemicalBook--->CAS DataBase List--->55405-67-9

55405-67-9

55405-67-9 Structure

55405-67-9 Structure
IdentificationBack Directory
[Name]

3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
[CAS]

55405-67-9
[Synonyms]

3-Bromopyrazolo[1,5-a]pyr...
3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE
Pyrazolo[1,5-a]pyrimidine, 3-bromo-
3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE ISO 9001:2015 REACH
[Molecular Formula]

C6H4BrN3
[MDL Number]

MFCD09832893
[MOL File]

55405-67-9.mol
[Molecular Weight]

198.03
Chemical PropertiesBack Directory
[Melting point ]

158-159℃
[density ]

1.89
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

-1.25±0.40(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C6H4BrN3/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H
[InChIKey]

MFJWRPLBWPDHGV-UHFFFAOYSA-N
[SMILES]

C12=C(Br)C=NN1C=CC=N2
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

26
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE(55405-67-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

PYRAZOLO[1,5-A]PYRIMIDINE

274-71-5

3-BROMO-PYRAZOLO[1,5-A]PYRIMIDINE

55405-67-9

General procedure for the synthesis of 3-bromopyrazolo[1,5-a]pyrimidines from pyrazolo[1,5-a]pyrimidines: pyrazolo[1,5-a]pyrimidines (1 g, 8.39 mmol) were dissolved in acetonitrile (5 mL), followed by addition of N-bromosuccinimide (NBS, 1.494 g, 8.39 mmol). The reaction mixture was stirred at room temperature for 8 hours. + (calculated value C6H5BrN3: 198.0); LC-MS retention time (Method A2): tR = 1.43 min.

[References]

[1] Patent: WO2017/59080, 2017, A1. Location in patent: Page/Page column 256; 257
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