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Name |
Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 79091-24-0 | Density | 1.862 g/cm3 |
PSA | 68.30000 | LogP | 2.37680 |
Solubility | N/A | Melting Point |
102-106℃ |
Formula | C5H4BrClN2O2S | Boiling Point | 431.3 °C at 760 mmHg |
Molecular Weight | 271.522 | Flash Point | 214.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 46963; |
Article Data | 3 |
The Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)- is an organic compound with the formula C5H4BrClN2O2S. With the CAS registry number 79091-24-0, the IUPAC name of this chemical is 5-bromo-4-chloro-2-methylsulfonylpyrimidine.
Physical properties about Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)- are: (1)ACD/LogP: 0.37; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 68.3 Å2; (5)Index of Refraction: 1.577; (6)Molar Refractivity: 48.34 cm3; (7)Molar Volume: 145.7 cm3; (8)Polarizability: 19.16×10-24cm3; (9)Surface Tension: 58.1 dyne/cm; (10)Density: 1.862 g/cm3; (11)Flash Point: 214.6 °C; (12)Enthalpy of Vaporization: 66.03 kJ/mol; (13)Boiling Point: 431.3 °C at 760 mmHg; (14)Vapour Pressure: 3.06E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-bromo-4-chloro-2-methylsulfanyl-pyrimidine. This reaction will need reagent 80 percent m-chloroperoxybenzoic acid and solvent CH2Cl2. The reaction time is 60 min at ambient temperature. The yield is about 85%.
Uses of Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)-: it can be used to produce 6-methylsulfonyl-2-phenyl-4H-pyrimido[4,5-e][1,3,4]thiadiazine by heating. It will need reagent dimethylformamide, triethylamine with reaction time of 4 hours. The yield is about 33%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(ncc1Br)S(=O)(=O)C
(2)InChI: InChI=1/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
(3)InChIKey: FATRNESSGITUQV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
(5)Std. InChIKey: FATRNESSGITUQV-UHFFFAOYSA-N