CAS No.24623-24-3,6-NITROINDANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24623-24-3
Name:	6-NITROINDANONE
Article Data:	31

Formula:	C₉H₇NO₃
Molecular Weight:	177.159
Synonyms:	1-Indanone,6-nitro- (8CI);1-Oxo-6-nitroindane;6-Nitroindan-1-one;NSC225094;
EINECS:	246-366-7
Density:	1.396 g/cm³
Melting Point:	71-73 °C
Boiling Point:	331.964 °C at 760 mmHg
Flash Point:	169.766 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-40
Safety:	26-36/37/39-45-36/37
PSA:	62.89000
LogP:	2.24690

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Specification

The 6-Nitroindanone, with CAS registry number 24623-24-3, has the systematic name of 6-nitro-2,3-dihydro-1H-inden-1-one. And its IUPAC name is the same one. Besides this, it is also called 1H-inden-1-one, 2,3-dihydro-6-nitro-. Its system generated number is 0024623243.

Physical properties about this chemical are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.08; (6)ACD/BCF (pH 7.4): 17.08; (7)ACD/KOC (pH 5.5): 265.32; (8)ACD/KOC (pH 7.4): 265.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 45.1 cm³; (15)Molar Volume: 126.8 cm³; (16)Polarizability: 17.88×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Enthalpy of Vaporization: 57.47 kJ/mol; (19)Vapour Pressure: 0.00015 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 6-Nitroindanone irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Besides this, it has limited evidence of a carcinogenic effect.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)CCC2=O
(2)InChI: InChI=1/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
(3)InChIKey: MLRACZPAMDFORH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
(5)Std. InChIKey: MLRACZPAMDFORH-UHFFFAOYSA-N