5-Bromo-2-pyrazol-1-yl-pyrimidine supplier

Name
5-Bromo-2-pyrazol-1-yl-pyrimidine
EINECS
CAS No. 883230-94-2
Article Data5
CAS DataBase
Density 1.79g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₄
Boiling Point 402.2 °C at 760 mmHg
Molecular Weight 225.047
Flash Point 197 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-2-pyrazol-1-ylpyrimidine
PSA 43.60000
LogP 1.42480

5-Bromo-2-pyrazol-1-yl-pyrimidine Specification

The 5-Bromo-2-pyrazol-1-yl-pyrimidine, with CAS registry number 883230-94-2, has the systematic name of 5-Bromo-2-(1H-pyrazol-1-yl)pyrimidine. Besides this, it is also called 5-Bromo-2-pyrazol-1-yl-pyrimidine. And the chemical formula of this chemical is C₇H₅BrN₄.

Physical properties of 5-Bromo-2-pyrazol-1-yl-pyrimidine: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.38; (8)ACD/KOC (pH 7.4): 26.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 50.37 cm³; (15)Molar Volume: 125.6 cm³; (16)Polarizability: 19.97×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.79 g/cm³; (19)Flash Point: 197 °C; (20)Enthalpy of Vaporization: 65.33 kJ/mol; (21)Boiling Point: 402.2 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnn(c1)c2ncc(cn2)Br
(2)InChI: InChI=1/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
(3)InChIKey: XQBZYQWGCLJVAF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
(5)Std. InChIKey: XQBZYQWGCLJVAF-UHFFFAOYSA-N

Product Name

5-Bromo-2-pyrazol-1-yl-pyrimidine

5-Bromo-2-pyrazol-1-yl-pyrimidine Specification

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