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2243-95-0

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Basic Information
CAS No.: 2243-95-0
Name: 1,4,5-TRINITRONAPHTHALENE
Article Data: 9
Molecular Structure:
Molecular Structure of 2243-95-0 (1,4,5-TRINITRONAPHTHALENE)
Formula: C10H5N3O6
Molecular Weight: 263.166
Synonyms: 1,4,5-Trinitronaphthalene;
Density: 1.654 g/cm3
Melting Point: 147.8-148.3 °C
Boiling Point: 463.3 °C at 760 mmHg
Flash Point: 241.9 °C
Solubility: 40mg/L(15 oC)
PSA: 137.46000
LogP: 4.13400
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Specification

The Naphthalene,1,4,5-trinitro- is an organic compound with the formula C10H5N3O6. The IUPAC name of this chemical is 1,4,5-Trinitronaphthalene. The CAS registry number of this chemical is 2243-95-0. Besides, its molecular weight is 263.16.

Physical properties about Naphthalene,1,4,5-trinitro- are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.85; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 178.95; (7)ACD/KOC (pH 7.4): 178.95; (8)#H bond acceptors: 9; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 137.46 Å2; (11)Index of Refraction: 1.733; (12)Molar Refractivity: 63.73 cm3; (13)Molar Volume: 159 cm3; (14)Polarizability: 25.26×10-24 cm3; (15)Surface Tension: 81.2 dyne/cm; (16)Density: 1.654 g/cm3; (17)Flash Point: 241.9 °C; (18)Enthalpy of Vaporization: 69.68 kJ/mol; (19)Boiling Point: 463.3 °C at 760 mmHg; (20)Vapour Pressure: 2.53E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H5N3O6/c14-11(15)7-4-5-9(13(18)19)10-6(7)2-1-3-8(10)12(16)17/h1-5H
(2)InChIKey: PPJVBBJMDLANLB-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C10H5N3O6/c14-11(15)7-4-5-9(13(18)19)10-6(7)2-1-3-8(10)12(16)17/h1-5H
(4)Std. InChIKey: PPJVBBJMDLANLB-UHFFFAOYSA-N