CAS No.18018-09-2,1,3-dichloro-2-methylanthraquinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18018-09-2
Name:	1,3-dichloro-2-methylanthraquinone

Formula:	C₁₅H₈Cl₂O₂
Molecular Weight:	291.133
Synonyms:	Anthraquinone,1,3-dichloro-2-methyl- (6CI,8CI);1,3-Dichloro-2-methylanthraquinone;1,3-Dichloro-2-methylanthracene-9,10-dione;
EINECS:	241-927-2
Density:	1.461 g/cm³
Boiling Point:	466.3 °C at 760 mmHg
Flash Point:	196.1 °C
PSA:	34.14000
LogP:	4.07720

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Specification

The 9,10-Anthracenedione,1,3-dichloro-2-methyl-, with the CAS registry number 18018-09-2, is also known as 1,3-Dichloro-2-methylanthraquinone. This chemical's molecular formula is C₁₅H₈Cl₂O₂ and molecular weight is 291.13. What's more, its systematic name is 1,3-Dichloro-2-methylanthracene-9,10-dione and its EINECS number is 241-927-2.

Physical properties of 9,10-Anthracenedione,1,3-dichloro-2-methyl- are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 5033.62; (6)ACD/BCF (pH 7.4): 5033.62; (7)ACD/KOC (pH 5.5): 15538.13; (8)ACD/KOC (pH 7.4): 15538.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 73.28 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 29.05×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.461 g/cm³; (19)Flash Point: 196.1 °C; (20)Enthalpy of Vaporization: 72.81 kJ/mol; (21)Boiling Point: 466.3 °C at 760 mmHg; (22)Vapour Pressure: 7.16E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)c3c2cc(Cl)c(c3Cl)C
(2)InChI: InChI=1S/C15H8Cl2O2/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6H,1H3
(3)InChIKey: QZKRKMRVWWGTRU-UHFFFAOYSA-N