5-Bromopyrimidine-2-carbonitrile supplier

Name
5-Bromopyrimidine-2-carbonitrile
EINECS
CAS No. 38275-57-9
Article Data11
CAS DataBase
Density 1.86g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₅H₂BrN₃
Boiling Point 317.7 °C at 760 mmHg
Molecular Weight 183.995
Flash Point 145.9 °C
Transport Information
Appearance
Safety 26-36/37-39-61
Risk Codes 20/21/22-37/38-41-50
Molecular Structure
Hazard Symbols Xi; Xn
Synonyms 5-Bromo-2-cyanopyrimidine;5-Bromo-2-pyrimidinecarbonitrile;
PSA 49.57000
LogP 1.11078

5-Bromopyrimidine-2-carbonitrile Specification

The 5-Bromopyrimidine-2-carbonitrile, with CAS registry number 38275-57-9, belongs to the following product categories: (1)Boron, Nitrile, Thio,& TM-Cpds; (2)Heterocycles; (3)Pyrimidine; (4)Cyano; (5)Organohalides. It has the systematic name of 5-bromopyrimidine-2-carbonitrile. And the chemical formula of this chemical is C₅H₂BrN₃.

Physical properties of 5-Bromopyrimidine-2-carbonitrile: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å²; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 34.63 cm³; (9)Molar Volume: 98.9 cm³; (10)Polarizability: 13.73×10^-24cm³; (11)Surface Tension: 79.3 dyne/cm; (12)Enthalpy of Vaporization: 55.91 kJ/mol; (13)Vapour Pressure: 0.000379 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(C#N)nc1
(2)InChI: InChI=1/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(3)InChIKey: VPQICCOHFSGBMA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(5)Std. InChIKey: VPQICCOHFSGBMA-UHFFFAOYSA-N

Product Name

5-Bromopyrimidine-2-carbonitrile

5-Bromopyrimidine-2-carbonitrile Specification

Related Products

Hot Products