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68412-56-6

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Basic Information
CAS No.: 68412-56-6
Name: PLATINUM-OCTANAL/OCTANOL COMPLEX
Molecular Structure:
Molecular Structure of 68412-56-6 (PLATINUM-OCTANAL/OCTANOL COMPLEX)
Formula: C8H18ClOPt
Molecular Weight: 360.7649
Synonyms: Platinum, chloro octanol complexes;
EINECS: 270-195-7
Density: 0,845 g/cm3
Melting Point: <0°C
Boiling Point: 194.7 °C at 760 mmHg
Flash Point: 81.1 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: -0.65930
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Specification

The Platinum, octanol complex, with the CAS registry number of 68412-56-6, is also known as Platinum, chloro octanol complexes. It belongs to the product category of UVCBs-organometallic. Its EINECS registry number is 270-195-7. This chemical's molecular formula is C8H18ClOPt and molecular weight is 360.758920. What's more, its IUPAC name is Chloroplatinum; octan-1-ol. This chemical's classification code is TSCA UVCB.

Physical properties about the Platinum, octanol complex are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.32; (6)ACD/BCF (pH 7.4): 112.32; (7)ACD/KOC (pH 5.5): 1021.72; (8)ACD/KOC (pH 7.4): 1021.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 81.1 °C; (14)Enthalpy of Vaporization: 50.14 kJ/mol; (15)Boiling Point: 194.7 °C at 760 mmHg; (16)Vapour Pressure: 0.114 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[Pt].OCCCCCCCC
(2) InChI: InChI=1/C8H18O.ClH.Pt/c1-2-3-4-5-6-7-8-9;;/h9H,2-8H2,1H3;1H;/q;;+1/p-1/rC8H18O.ClPt/c1-2-3-4-5-6-7-8-9;1-2/h9H,2-8H2,1H3;
(3) InChIKey: FNRCGCLCQWRUOQ-TXLISKCIAP