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6541-19-1

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Basic Information
CAS No.: 6541-19-1
Name: 6,7-dichloroquinoline-5,8-dione
Article Data: 26
Molecular Structure:
Molecular Structure of 6541-19-1 (6,7-dichloroquinoline-5,8-dione)
Formula: C9H3Cl2NO2
Molecular Weight: 228.034
Synonyms: 6,7-Dichloro-5,8-quinolinedione;6,7-Dichloro-5,8-quinolinequinone;DA 3002;NSC 81047;
Density: 1.63 g/cm3
Melting Point: 220-222 °C
Boiling Point: 331.1 °C at 760 mmHg
Flash Point: 154 °C
PSA: 47.03000
LogP: 2.14980
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Specification

The 5,8-Quinolinedione,6,7-dichloro-, with the CAS registry number 6541-19-1, is also known as 6,7-dichloro-5,8-quinolinedione. Its molecular formula is C9H3Cl2NO2 and its molecular weight is 228.031620. Additionally, its IUPAC name is 6,7-dichloroquinoline-5,8-dione.

Other characteristics of the 5,8-Quinolinedione,6,7-dichloro- can be summarised as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.5; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 85.41; (8)ACD/KOC (pH 7.4): 85.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.03 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 50.37 cm3; (15)Molar Volume: 139.8 cm3; (16)Polarizability: 19.96×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 154 °C; (20)Enthalpy of Vaporization: 57.37 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00016 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c1cccnc1C(=O)C(/Cl)=C2/Cl
2.InChI: InChI=1/C9H3Cl2NO2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H
3.InChIKey: TUWOPVCIIBKUQS-UHFFFAOYAN