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359905-97-8

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Basic Information
CAS No.: 359905-97-8
Name: 3,3-dichloro-1-ethylquinoline-2,4(1H,3H)-dione
Molecular Structure:
Molecular Structure of 359905-97-8 (3,3-dichloro-1-ethylquinoline-2,4(1H,3H)-dione)
Formula: C11H9Cl2NO2
Molecular Weight: 258.1007
Synonyms: ZINC00087708;
Density: 1.45 g/cm3
Boiling Point: 438.1 °C at 760 mmHg
Flash Point: 218.7 °C
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    Molecular Formula C11 H9 Cl2 N O2 Molecular weight 258.10396 3,3-dichloro-1-ethyl-1,2,3,4-tetrahydroquinoline-2,4-dione on request

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Specification

The 2,4(1H,3H)-Quinolinedione,3,3-dichloro-1-ethyl-, with the CAS registry number 359905-97-8, is also known as ZINC00087708. This chemical's molecular formula is C11H9Cl2NO2 and molecular weight is 258.10066. Its IUPAC name is called 3,3-dichloro-1-ethylquinoline-2,4-dione.

Physical properties of 2,4(1H,3H)-Quinolinedione,3,3-dichloro-1-ethyl-: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.6; (5)ACD/BCF (pH 7.4): 19.6; (6)ACD/KOC (pH 5.5): 292.79; (7)ACD/KOC (pH 7.4): 292.79; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 61.64 cm3; (12)Molar Volume: 177.2 cm3; (13)Surface Tension: 55.3 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 218.7 °C; (16)Enthalpy of Vaporization: 69.48 kJ/mol; (17)Boiling Point: 438.1 °C at 760 mmHg; (18)Vapour Pressure: 7.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1C2=CC=CC=C2C(=O)C(C1=O)(Cl)Cl
(2)InChI: InChI=1S/C11H9Cl2NO2/c1-2-14-8-6-4-3-5-7(8)9(15)11(12,13)10(14)16/h3-6H,2H2,1H3
(3)InChIKey: XJBDCKNSFHNIIB-UHFFFAOYSA-N