Product Name

  • Name

    Carbonylchlorohydrotris(triphenylphosphine)ruthenium

  • EINECS 241-051-0
  • CAS No. 16971-33-8
  • Article Data27
  • CAS DataBase
  • Density
  • Solubility Insoluble in water
  • Melting Point 204-206 °C (dec.)(lit.)
  • Formula C55H46ClOP3Ru
  • Boiling Point 360 °C at 760 mmHg
  • Molecular Weight 952.414
  • Flash Point 181.7 °C
  • Transport Information
  • Appearance pale yellow crystals
  • Safety 26-37/39-36/37/39-22
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 16971-33-8 (Carbonylchlorohydrotris(triphenylphosphine)ruthenium)
  • Hazard Symbols HarmfulXnToxicT
  • Synonyms Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II);Carbonylchlorohydrotris(triphenylphosphine)ruthenium;
  • PSA 40.77000
  • LogP 10.81590

Carbonylchlorohydrotris(triphenylphosphine)ruthenium Specification

The cas register number of Carbonylchlorohydrotris(triphenylphosphine)ruthenium is 16971-33-8. It also can be called as Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) and the IUPAC Name about this chemical is carbon monoxide; hydride; ruthenium(2+); triphenylphosphane; chloride. It belongs to the following product categories, such as Catalysis and Inorganic Chemistry, Ru Catalysts, Ruthenium and so on.

Physical properties about Carbonylchlorohydrotris(triphenylphosphine)ruthenium are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 13.59Å2; (11)Flash Point: 181.7 °C; (12)Enthalpy of Vaporization: 58.18 kJ/mol; (13)Boiling Point: 360 °C at 760 mmHg; (14)Vapour Pressure: 4.74E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [H-].[Ru+2].[Cl-].[O+]#[C-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3.c1ccccc1P(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/3C18H15P.CO.ClH.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h3*1-15H;;1H;;/q;;;;;+2;-1/p-1
(3)InChIKey: AQNNBONKVCJJDU-REWHXWOFAN
(4)Std. InChI: InChI=1S/3C18H15P.CO.ClH.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h3*1-15H;;1H;;/q;;;;;+2;-1/p-1
(5)Std. InChIKey: AQNNBONKVCJJDU-UHFFFAOYSA-M

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