CAS No.18242-39-2,1-BROMO-3,5-DINITRO-BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18242-39-2
Name:	1-BROMO-3,5-DINITRO-BENZENE
Article Data:	36

Formula:	C₆H₃BrN₂O₄
Molecular Weight:	247.005
Synonyms:	3,5-Dinitrobromobenzene;5-Bromo-1,3-dinitrobenzene;
Density:	1.91 g/cm³
Melting Point:	75-76℃
Boiling Point:	309.335 °C at 760 mmHg
Flash Point:	140.881 °C
Solubility:	Slightly soluble in water.
PSA:	91.64000
LogP:	3.31190

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Specification

The Benzene,1-bromo-3,5-dinitro-, with the CAS registry number 18242-39-2, is also known as ZINC02000723. This chemical's molecular formula is C₆H₃BrN₂O₄ and molecular weight is 247.00302. Its IUPAC name is called 1-bromo-3,5-dinitrobenzene.

Physical properties of Benzene,1-bromo-3,5-dinitro-: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.35; (5)ACD/BCF (pH 7.4): 19.35; (6)ACD/KOC (pH 5.5): 290.15; (7)ACD/KOC (pH 7.4): 290.15; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.647; (11)Molar Refractivity: 47.03 cm³; (12)Molar Volume: 129.3 cm³; (13)Surface Tension: 66.1 dyne/cm; (14)Density: 1.91 g/cm³; (15)Flash Point: 140.9 °C; (16)Enthalpy of Vaporization: 52.81 kJ/mol; (17)Boiling Point: 309.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3BrN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H
(3)InChIKey: OLDMYNWXIGPOCI-UHFFFAOYSA-N