1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane supplier

Name
1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene
EINECS
CAS No. 54648-07-6
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₈N₂O₄
Boiling Point 452.6 °C at 760 mmHg
Molecular Weight 326.3465
Flash Point 202.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,3-Trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene;1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-;1,3,3-Trimethyl-5-nitro-1-(4-nitrophenyl)indane;
PSA 91.64000
LogP 5.53670

1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane Specification

The 1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane, with the CAS registry number 54648-07-6, is also known as 1,3,3-Trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene. This chemical's molecular formula is C₁₈H₁₈N₂O₄ and molecular weight is 326.13. What's more, its IUPAC name is called 1,3,3-Trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene.

Physical properties about 1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 11060.1; (6)ACD/BCF (pH 7.4): 11060.1; (7)ACD/KOC (pH 5.5): 27296.78; (8)ACD/KOC (pH 7.4): 27296.78; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 89.89 cm³; (15)Molar Volume: 263.2 cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.239 g/cm³; (18)Flash Point: 202.7 °C; (19)Enthalpy of Vaporization: 68.45 kJ/mol; (20)Boiling Point: 452.6 °C at 760 mmHg; (21)Vapour Pressure: 5.95E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C3(c2ccc(cc2C(C3)(C)C)[N+]([O-])=O)C
(2) InChI: InChI=1S/C18H18N2O4/c1-17(2)11-18(3,12-4-6-13(7-5-12)19(21)22)15-9-8-14(20(23)24)10-16(15)17/h4-10H,11H2,1-3H3
(3) InChIKey: SNODYNVSSVPIFV-UHFFFAOYSA-N

Product Name

1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane Specification

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