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| CAS No.: | 16971-33-8 |
|---|---|
| Name: | Carbonylchlorohydrotris(triphenylphosphine)ruthenium |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C55H46ClOP3Ru |
| Molecular Weight: | 952.414 |
| Synonyms: | Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II);Carbonylchlorohydrotris(triphenylphosphine)ruthenium; |
| EINECS: | 241-051-0 |
| Melting Point: | 204-206 °C (dec.)(lit.) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| Solubility: | Insoluble in water |
| Appearance: | pale yellow crystals |
| Hazard Symbols: |
 Xn T
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39-36/37/39-22 |
| PSA: | 40.77000 |
| LogP: | 10.81590 |
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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