-
Name
5-Nitro-2-indanone
- EINECS
- CAS No. 116530-60-0
- Article Data5
- CAS DataBase
- Density 1.396 g/cm3
- Solubility
- Melting Point
- Formula C9H7NO3
- Boiling Point 340.59 °C at 760 mmHg
- Molecular Weight 177.159
- Flash Point 175.999 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols R36/37/38:;
- Synonyms 5-NITRO-INDAN-2-ONE;5-NITRO-2-INDANONE;2H-Inden-2-one, 1,3-dihydro-5-nitro-;5-nitro-2,3-dihydro-1H-inden-2-one;5-nitro-1H-inden-2(3H)-one
- PSA 62.89000
- LogP 1.78570
5-Nitro-2-indanone Specification
The CAS register number of 5-Nitro-2-indanone is 116530-60-0. It also can be called as 2H-Inden-2-one,1,3-dihydro-5-nitro- and the IUPAC name about this chemical is 5-nitro-1,3-dihydroinden-2-one. The molecular formula about this chemical is C9H7NO3 and the molecular weight is 177.16. It belongs to the Pharmacetical.
Physical properties about 5-Nitro-2-indanone are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 3.15; (5)ACD/BCF (pH 7.4): 3.15; (6)ACD/KOC (pH 5.5): 79.07; (7)ACD/KOC (pH 7.4): 79.07; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.89Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 45.1 cm3; (13)Molar Volume: 126.8 cm3; (14)Polarizability: 17.88x10-24cm3; (15)Surface Tension: 61.1 dyne/cm; (16)Enthalpy of Vaporization: 58.42 kJ/mol; (17)Boiling Point: 340.6 °C at 760 mmHg; (18)Vapour Pressure: 8.51E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)CC(=O)C2
(2)InChI: InChI=1/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2
(3)InChIKey: VSEBFWRYDORZJI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2
(5)Std. InChIKey: VSEBFWRYDORZJI-UHFFFAOYSA-N
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