Ruthenium,dichloro[(1,2,5,6-h)-1,5-cyclooctadiene]- (50982-12-2)

The Dichloro(cycloocta-1,5-diene)ruthenium(II), with the cas registry number 50982-12-2 and the EINECS registry number 256-889-2, has the systematic name of ruthenium(2+) dichloride - (1Z,5Z)-cycloocta-1,5-diene (1:1). The molecular formula of the chemical is C₈H₁₂Cl₂Ru. It is a kind of brown to black crystals or crystalline powder, and belongs to the product categories of Catalysts and Chiral chemicals.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 360; (6)ACD/BCF (pH 7.4): 360; (7)ACD/KOC (pH 5.5): 2353; (8)ACD/KOC (pH 7.4): 2353; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å²; (13)Flash Point: 31.7 °C; (14)Enthalpy of Vaporization: 37.42 kJ/mol; (15)Boiling Point: 153.5 °C at 760 mmHg; (16)Vapour Pressure: 4.25 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, you had better avoid release to the environment and refer to special instructions safety data sheet.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].[Ru+2].[Cl-].C\1=C\CC/C=C\CC/1
(2)InChI: InChI=1/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;
(3)InChIKey: DMRVBCXRFYZCPR-AUZMAREFBF