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2,4,6-tribromopyrimidine

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Name

2,4,6-tribromopyrimidine

EINECS N/A
CAS No. 36847-11-7 Density 2.545 g/cm3
PSA 25.78000 LogP 2.76410
Solubility N/A Melting Point 108-113°C
Formula C4HBr3N2 Boiling Point 369.1 °C at 760 mmHg
Molecular Weight 316.777 Flash Point 177 °C
Transport Information N/A Appearance N/A
Safety 26-39-36/37/39-22 Risk Codes 22-37/38-41-36/37/38
Molecular Structure Molecular Structure of 36847-11-7 (2,4,6-tribromopyrimidine) Hazard Symbols Xn
Synonyms

Pyrimidine, 2,4,6-tribromo-;

Article Data 10

2,4,6-tribromopyrimidine Specification

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

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