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| CAS No.: | 12317-46-3 |
|---|---|
| Name: | (BICYCLO[2.2.1]HEPTA-2,5-DIENE)DICHLOROPALLADIUM(II) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H8Cl2Pd |
| Molecular Weight: | 269.467 |
| Synonyms: | Palladium,dichloro(2,5-norbornadiene)- (6CI,7CI,8CI);Bicyclo[2.2.1]hepta-2,5-diene,palladium complex;Bicyclo[2.2.1]hepta-2,5-diene(dichloro)palladium;Dichloro(norbornadiene)palladium;Dichloro(norbornadiene)palladium(II);NSC176915;Norbornadiene palladium dichloride;(Bicyclo[2.2.1]hepta-2,5-diene)dichloropalladium(II); |
| EINECS: | 235-583-2 |
| Melting Point: | 260 °C (dec.)(lit.) |
| Boiling Point: | 89.5 °C at 760 mmHg |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.83230 |
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Specification
The Palladium, [(2,3,5,6-h)-bicyclo[2.2.1]hepta-2,5-diene]dichloro-, with the CAS registry number 12317-46-3 and EINECS registry number 235-583-2, has the systematic name of palladium(2+) chloride - bicyclo[2.2.1]hepta-2,5-diene (1:2:1). It belongs to the following product categories: Catalysis and Inorganic Chemistry; Homogeneous Pd Catalysts; Palladium. And the molecular formula of the chemical is C7H8Cl2Pd.
The characteristics of Palladium, [(2,3,5,6-h)-bicyclo[2.2.1]hepta-2,5-diene]dichloro- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.48; (6)ACD/BCF (pH 7.4): 25.48; (7)ACD/KOC (pH 5.5): 353.32; (8)ACD/KOC (pH 7.4): 353.32; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 31.59 kJ/mol; (14)Boiling Point: 89.5 °C at 760 mmHg; (15)Vapour Pressure: 66 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].[Cl-].[Pd+2].C\1=C\C2/C=C\C/1C2
(2)InChI: InChI=1/C7H8.2ClH.Pd/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2
(3)InChIKey: BNCRZJHZZCMDNP-NUQVWONBAY