Benzene,2,4-dibromo-1,3,5-trinitro- supplier

Name
1,3-DIBROMO-2,4,6-TRINITROBENZENE
EINECS
CAS No. 13506-78-0
Article Data2
CAS DataBase
Density 2.357 g/cm³
Solubility
Melting Point
Formula C₆HBr₂N₃O₆
Boiling Point 283.1 °C at 760 mmHg
Molecular Weight 370.898
Flash Point 125 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dibromo-2,4,6-trinitrobenzene;
PSA 137.46000
LogP 4.50580

Benzene,2,4-dibromo-1,3,5-trinitro- Specification

The Benzene, 2, 4-dibromo-1, 3, 5-trinitro-, with the CAS registry number 13506-78-0, is also known as 2, 4-Dibromo-1, 3, 5-trinitrobenzene. This chemical's molecular formula is C₆HBr₂N₃O₆ and molecular weight is 370.9. What's more, its systematic name is 2, 4-Dibromo-1, 3, 5-trinitrobenzene.

Physical properties about Benzene, 2, 4-dibromo-1, 3, 5-trinitro- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.33; (6)ACD/BCF (pH 7.4): 9.33; (7)ACD/KOC (pH 5.5): 172.19; (8)ACD/KOC (pH 7.4): 172.19; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 137.46 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 61.26 cm³; (15)Molar Volume: 157.3 cm³; (16)Polarizability: 24.28×10^-24 cm³; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 2.357 g/cm³; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 50.1 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00552 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(Br)c(cc([N+]([O-])=O)c1Br)[N+]([O-])=O
(2) InChI: InChI=1/C6HBr2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H
(3) InChIKey: WTHRTSHMOCVSMH-UHFFFAOYAQ

Product Name

1,3-DIBROMO-2,4,6-TRINITROBENZENE

Benzene,2,4-dibromo-1,3,5-trinitro- Specification

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