3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine supplier

Name
Pyrazolo[1,5-a]pyrimidine, 3-bromo-5,7-dichloro-
EINECS
CAS No. 114040-06-1
Article Data12
CAS DataBase
Density 2.162 g/cm³
Solubility
Melting Point 73-75 °C
Formula C₆H₂BrCl₂N₃
Boiling Point
Molecular Weight 266.91
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine; Pyrazolo[1,5-a]pyrimidine,3-bromo-5,7-dichloro;
PSA 30.19000
LogP 2.79860

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine Specification

The 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine, with CAS registry number 114040-06-1, belongs to the following product category: API intermediates. It has the systematic name of 3-bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine. And the chemical formula of this chemical is C₆H₂BrCl₂N₃.

Physical properties of 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.313; (4)ACD/LogD (pH 7.4): 3.313; (5)ACD/BCF (pH 5.5): 194.046; (6)ACD/BCF (pH 7.4): 194.046; (7)ACD/KOC (pH 5.5): 1511.09; (8)ACD/KOC (pH 7.4): 1511.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å²; (13)Index of Refraction: 1.782; (14)Molar Refractivity: 51.916 cm³; (15)Molar Volume: 123.469 cm³; (16)Polarizability: 20.581×10^-24cm³; (17)Surface Tension: 65.534 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc2c(cnn2c1Cl)Br)Cl
(2)InChI: InChI=1/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
(3)InChIKey: CJIKMWXLGRVJMI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
(5)Std. InChIKey: CJIKMWXLGRVJMI-UHFFFAOYSA-N

Product Name

Pyrazolo[1,5-a]pyrimidine, 3-bromo-5,7-dichloro-

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine Specification

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