1H-Inden-1-one,2,3-dihydro-7-nitro- supplier

Name
7-Nitro-1-indanone
EINECS
CAS No. 183061-37-2
Article Data1
CAS DataBase
Density 1.396±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₉H₇ N O₃
Boiling Point 335.4±31.0 °C(Predicted)
Molecular Weight 177.159
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Nitro-1-indanone;2,3-Dihydro-7-nitro-1H-inden-1-one
PSA 62.89000
LogP 2.24690

1H-Inden-1-one,2,3-dihydro-7-nitro- Specification

The 1H-Inden-1-one,2,3-dihydro-7-nitro-, with the cas registry number 183061-37-2, has the systematic name of 7-nitroindan-1-one.

The characteristics of this chemical are as follows: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.941; (4)ACD/LogD (pH 7.4): 0.941; (5)ACD/BCF (pH 5.5): 3.055; (6)ACD/BCF (pH 7.4): 3.055; (7)ACD/KOC (pH 5.5): 77.402; (8)ACD/KOC (pH 7.4): 77.402; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.89 ; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 45.103 cm³; (15)Molar Volume: 126.864 cm³; (16)Polarizability: 17.88 ×10^-24 cm³; (17)Surface Tension: 61.144 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 172.258 °C; (20)Enthalpy of Vaporization: 57.846 kJ/mol; (21)Boiling Point: 335.406 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Additionally, the following data information could be converted into the molecular structure:
SMILES:c1cc2c(c(c1)[N+](=O)[O-])C(=O)CC2
InChI:InChI=1/C9H7NO3/c11-8-5-4-6-2-1-3-7(9(6)8)10(12)13/h1-3H,4-5H2
InChIKey:FFNWINZISCEKBH-UHFFFAOYAM

Product Name

7-Nitro-1-indanone

1H-Inden-1-one,2,3-dihydro-7-nitro- Specification

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