Basic Information | Post buying leads | Suppliers |
Name |
1H-Indene-1,3(2H)-dione,2-nitro- |
EINECS | 222-942-3 |
CAS No. | 3674-33-7 | Density | 1.5 g/cm3 |
PSA | 79.96000 | LogP | 1.23410 |
Solubility | N/A | Melting Point |
125 °C (dec.) |
Formula | C9H5NO4 | Boiling Point | 418.9 °C at 760 mmHg |
Molecular Weight | 191.143 | Flash Point | 229.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Indandione,2-nitro- (6CI,7CI,8CI);2-Nitro-1,3-indandione;NSC 32324; |
The 1H-Indene-1,3(2H)-dione,2-nitro-, with the CAS registry number 3674-33-7, is also known as 2-Nitro-1,3-indandione. Its EINECS registry number is 222-942-3. This chemical's molecular formula is C9H5NO4 and molecular weight is 191.14. Its IUPAC name is called 2-nitroindene-1,3-dione.
Physical properties of 1H-Indene-1,3(2H)-dione,2-nitro-: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 44.84 cm3; (13)Molar Volume: 127.3 cm3; (14)Surface Tension: 63.6 dyne/cm; (15)Density: 1.5 g/cm3; (16)Flash Point: 229.9 °C; (17)Enthalpy of Vaporization: 67.25 kJ/mol; (18)Boiling Point: 418.9 °C at 760 mmHg; (19)Vapour Pressure: 3.17E-07 mmHg at 25°C.
Uses of 1H-Indene-1,3(2H)-dione,2-nitro-: it can be used to produce (E)-2-(3-Ethoxy-2-propenyl)-2-nitro-1,3-indandione with 3,3-diethoxy-propene at ambient temperature. This reaction will need solvent 1,2-dichloro-ethane with reaction time of 120 min. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H5NO4/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,7H
(3)InChIKey: CJGMVHVKJXBIDT-UHFFFAOYSA-N