Pyrimidine,4-(4-bromo-1H-pyrazol-1-yl)-6-chloro- supplier

Name
4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine
EINECS
CAS No. 957035-29-9
Density 1.92 g/cm³
Solubility
Melting Point
Formula C₇H₄BrClN₄
Boiling Point 380.3 °C at 760 mmHg
Molecular Weight 259.4905
Flash Point 183.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine;
PSA 43.60000
LogP 2.07820

Pyrimidine,4-(4-bromo-1H-pyrazol-1-yl)-6-chloro- Specification

The Pyrimidine,4-(4-bromo-1H-pyrazol-1-yl)-6-chloro-, with the CAS registry number 957035-29-9, is also known as 4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine. It belongs to the product categories of Blocks; Bromides; Imidazoles; Pyridines. This chemical's molecular formula is C₇H₄BrClN₄ and molecular weight is 259.4905. What's more, its systematic name is called 4-(4-Bromopyrazol-1-yl)-6-chloro-pyrimidine.

Physical properties about Pyrimidine, 4-(4-bromo-1H-pyrazol-1-yl)-6-chloro-are: (1)ACD/LogP: 2.14; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 43.6 Å²; (9)Index of Refraction: 1.749; (10)Molar Refractivity: 54.97 cm³; (11)Molar Volume: 135 cm³; (12)Polarizability: 21.79×10^-24cm³; (13)Surface Tension: 63.2 dyne/cm; (14)Density: 1.92 g/cm³; (15)Flash Point: 183.8 °C; (16)Enthalpy of Vaporization: 60.38 kJ/mol; (17)Boiling Point: 380.3 °C at 760 mmHg; (18)Vapour Pressure: 1.21E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ncnc1Cl)n2cc(cn2)Br
(2) InChI: InChI=1/C7H4BrClN4/c8-5-2-12-13(3-5)7-1-6(9)10-4-11-7/h1-4H
(3) InChIKey: BFFRQSAFKUZCTO-UHFFFAOYAA

Product Name

4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine

Pyrimidine,4-(4-bromo-1H-pyrazol-1-yl)-6-chloro- Specification

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