Benzene,1-bromo-2-methyl-3,5-dinitro- supplier

Name
1-BROMO-2-METHYL-3,5-DINITROBENZENE
EINECS
CAS No. 18242-38-1
Article Data8
CAS DataBase
Density 1.793 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂O₄
Boiling Point 331.2 °C at 760 mmHg
Molecular Weight 261.032
Flash Point 154.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene,2-bromo-4,6-dinitro- (8CI);6-Bromo-2,4-dinitrotoluene;2-Bromo-4,6-dinitrotoluene;1-Bromo-2-methyl-3,5-dinitrobenzene;
PSA 91.64000
LogP 3.62030

Benzene,1-bromo-2-methyl-3,5-dinitro- Specification

The Benzene, 1-bromo-2-methyl-3, 5-dinitro-, with the CAS registry number 18242-38-1, is also known as 6-Bromo-2, 4-dinitrotoluene. This chemical's molecular formula is C₇H₅BrN₂O₄ and molecular weight is 261.03. What's more, its systematic name is 1-Bromo-2-methyl-3, 5-dinitrobenzene.

Physical properties about Benzene, 1-bromo-2-methyl-3, 5-dinitro- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.29; (6)ACD/BCF (pH 7.4): 43.29; (7)ACD/KOC (pH 5.5): 516.31; (8)ACD/KOC (pH 7.4): 516.31; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 51.85 cm³; (15)Molar Volume: 145.5 cm³; (16)Polarizability: 20.55×10^-24 cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.793 g/cm³; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 55.11 kJ/mol; (21)Boiling Point: 331.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000304 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O
(2) InChI: InChI=1/C7H5BrN2O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,1H3
(3) InChIKey: VPCDPLZDNORAKR-UHFFFAOYAT

Product Name

1-BROMO-2-METHYL-3,5-DINITROBENZENE

Benzene,1-bromo-2-methyl-3,5-dinitro- Specification

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