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58161-31-2

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Basic Information
CAS No.: 58161-31-2
Name: 8-Nitro-1-tetralone
Article Data: 2
Molecular Structure:
Molecular Structure of 58161-31-2 (8-Nitro-1-tetralone)
Formula: C10H9NO3
Molecular Weight: 191.186
Synonyms: 8-Nitro-1-tetralone;8-Nitro-α-tetralone;
Density: 1.322 g/cm3
Melting Point: 154-155 °C
Boiling Point: 352.2 °C at 760 mmHg
Flash Point: 177.3 °C
PSA: 62.89000
LogP: 2.63700
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Specification

The CAS register number of 1(2H)-Naphthalenone,3,4-dihydro-8-nitro- is 58161-31-2. It also can be called as 8-Nitro-α-tetralone and the systematic name about this chemical is 8-nitro-3,4-dihydronaphthalen-1(2H)-one. The molecular formula about this chemical is C10H9NO3 and the molecular weight is 191.18.

Physical properties about 1(2H)-Naphthalenone,3,4-dihydro-8-nitro- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.04; (5)ACD/BCF (pH 7.4): 29.04; (6)ACD/KOC (pH 5.5): 387.95; (7)ACD/KOC (pH 7.4): 387.95; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.89 Å2; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 49.71 cm3; (13)Molar Volume: 144.6 cm3; (14)Polarizability: 19.7x10-24cm3; (15)Surface Tension: 55.5 dyne/cm; (16)Density: 1.322 g/cm3; (17)Flash Point: 177.3 °C; (18)Enthalpy of Vaporization: 59.7 kJ/mol; (19)Boiling Point: 352.2 °C at 760 mmHg; (20)Vapour Pressure: 3.89E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c2cccc1CCCC(=O)c12
(2)Std. InChI: InChI=1S/C10H9NO3/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1,3,5H,2,4,6H2
(3)Std. InChIKey: UKKCVYLILLBOTM-UHFFFAOYSA-N