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CAS No.: | 36847-11-7 |
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Name: | 2,4,6-tribromopyrimidine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C4HBr3N2 |
Molecular Weight: | 316.777 |
Synonyms: | Pyrimidine, 2,4,6-tribromo-; |
Density: | 2.545 g/cm3 |
Melting Point: | 108-113°C |
Boiling Point: | 369.1 °C at 760 mmHg |
Flash Point: | 177 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41-36/37/38 |
Safety: | 26-39-36/37/39-22 |
PSA: | 25.78000 |
LogP: | 2.76410 |
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The 2,4,6-tribromopyrimidine, with the CAS registry number 36847-11-7, is also called Pyrimidine, 2,4,6-tribromo-. It belongs to the product category of Pyrimidine, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4HBr3N2.
The characteristics of 2,4,6-tribromopyrimidine are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 45.5 cm3; (9)Molar Volume: 124.4 cm3; (10)Polarizability: 18.03×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Density: 2.545 g/cm3; (13)Flash Point: 177 °C; (14)Enthalpy of Vaporization: 59.16 kJ/mol; (15)Boiling Point: 369.1 °C at 760 mmHg; (16)Vapour Pressure: 2.58E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1nc(Br)nc(Br)c1
(2)InChI: InChI=1/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
(3)InChIKey: AHEYFWKLKMOHCI-UHFFFAOYAT