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Ruthenium,chlorohydrotris(triphenylphosphine)-, (TB-5-13)-

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Name

Ruthenium,chlorohydrotris(triphenylphosphine)-, (TB-5-13)-

EINECS 259-480-7
CAS No. 55102-19-7 Density N/A
PSA 40.77000 LogP 7.33840
Solubility N/A Melting Point decomposes at 130℃ [ALD94]
Formula C54H46ClP3Ru Boiling Point 379.9 °C at 760 mmHg
Molecular Weight 924.404 Flash Point 193.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 55102-19-7 (CHLOROHYDRIDOTRIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)) Hazard Symbols HarmfulXn
Synonyms

Chlorohydridotris(triphenylphosphine) ruthenium(ii) toluene adduct;Chlorohydridotris(triphenylphosphine)ruthenium(II);Chlorohydridotris(triphenylphosphine)-ruthenium(I;Chlorohydrotris(triphenylphosphine)ruthenium;Chlorohydridotris(triphenylphosphine)ruthenium(Ⅱ);Chlorohydridotris(triphenylphosphine)ruthenium();

Article Data 26

Ruthenium,chlorohydrotris(triphenylphosphine)-, (TB-5-13)- Specification

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  

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