CHLOROHYDRIDOTRIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)

The Ruthenium,chlorohydrotris(triphenylphosphine)-, (TB-5-13)-, with the CAS registry number 55102-19-7, is also known as Chlorohydridotris(triphenylphosphine)ruthenium (ii). Its EINECS number is 259-480-7. It belongs to the product categories of Catalysis and Inorganic Chemistry; Ru Catalysts; Ruthenium. This chemical's molecular formula is C₅₄H₄₆ClP₃Ru and molecular weight is 923.38. What's more, its systematic name is Chlororuthenium; 1-cyclohexa-2,4-dienyl-diphenyl-phosphane; triphenylphosphane. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, and dry place.

Physical properties of Ruthenium,chlorohydrotris(triphenylphosphine)-, (TB-5-13)- are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13305.73; (6)ACD/BCF (pH 7.4): 13305.73; (7)ACD/KOC (pH 5.5): 31158.4; (8)ACD/KOC (pH 7.4): 31158.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å²;  (13)Flash Point: 193.3 °C; (14)Enthalpy of Vaporization: 60.34 kJ/mol; (15)Boiling Point: 379.9 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful if it's inhalated, contacted with skin and swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C=CC=CC1P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]
(2)InChI: InChI=1S/C18H17P.2C18H15P.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-14,18H,15H2;2*1-15H;1H;/q;;;;+1/p-1
(3)InChIKey: UOYCXTLFGMOGAI-UHFFFAOYSA-M