CAS No.41734-55-8,5-NITROINDENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41734-55-8
Name:	5-NITROINDENE
Article Data:	7

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	Indene,5-nitro- (5CI);5-Nitroindene;
Density:	1.303 g/cm³
Boiling Point:	283.4 °C at 760 mmHg
Flash Point:	136.9 °C
PSA:	45.82000
LogP:	2.68730

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Specification

The 1H-Indene, 5-nitro- is an organic compound with the formula C₉H₇NO₂. The IUPAC name of this chemical is 5-nitro-1H-indene. With the CAS registry number 41734-55-8, it is also named as 5-Nitroindene.

Physical properties about 1H-Indene, 5-nitro- are: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 178; (5)ACD/BCF (pH 7.4): 178; (6)ACD/KOC (pH 5.5): 1420.53; (7)ACD/KOC (pH 7.4): 1420.53; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å²; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 44.57 cm³; (13)Molar Volume: 123.6 cm³; (14)Polarizability: 17.67×10^-24cm³; (15)Surface Tension: 57.3 dyne/cm; (16)Density: 1.303 g/cm³; (17)Flash Point: 136.9 °C; (18)Enthalpy of Vaporization: 50.14 kJ/mol; (19)Boiling Point: 283.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00542 mmHg at 25°C.

Uses of 1H-Indene, 5-nitro-: it can be used to produce 1,2-epoxy-6-nitroindan. It will need reagent m-chloroperbenzoic acid (m-CPBA) and solvent CH₂Cl₂ with reaction time of 2 days. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc\2c(cc1)C/C=C/2
(2)InChI: InChI=1/C9H7NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
(3)InChIKey: OHNKSVVCUPOUDJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H7NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
(5)Std. InChIKey: OHNKSVVCUPOUDJ-UHFFFAOYSA-N