Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromopyrimidine-2-carbonitrile |
EINECS | N/A |
CAS No. | 38275-57-9 | Density | 1.86g/cm3 |
PSA | 49.57000 | LogP | 1.11078 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C5H2BrN3 | Boiling Point | 317.7 °C at 760 mmHg |
Molecular Weight | 183.995 | Flash Point | 145.9 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 11 |
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