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10H-Phenoxazine,4,6-bis(diphenylphosphino)-

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Name

10H-Phenoxazine,4,6-bis(diphenylphosphino)-

EINECS
CAS No. 261733-18-0 Density
Solubility Melting Point 256-262ºC
Formula C36H27NOP2 Boiling Point 662.1 °C at 760 mmHg
Molecular Weight 551.55 Flash Point 354.3 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 261733-18-0 (10H-Phenoxazine,4,6-bis(diphenylphosphino)-) Hazard Symbols
Synonyms

4,6-Bis(diphenylphosphino)phenoxazine;

 

10H-Phenoxazine,4,6-bis(diphenylphosphino)- Specification

The 10H-Phenoxazine,4,6-bis(diphenylphosphino)-, with the CAS registry number 261733-18-0, is also known as 4,6-Bis(diphenylphosphino)phenoxazine. It belongs to the product categories of Phosphine Ligands; Synthetic Organic Chemistry. This chemical's molecular formula is C36H27NOP2 and molecular weight is 551.55. What's more,its systematic name is 4,6-Bis(diphenylphosphanyl)-10H-phenoxazine.

Physical properties about 10H-Phenoxazine,4,6-bis(diphenylphosphino) are: (1)ACD/LogP: 10.79; (2)#of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.79; (4)ACD/LogD (pH 7.4): 10.79; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.65 Å2; (13)Flash Point: 354.3 °C; (14)Enthalpy of Vaporization: 97.41 kJ/mol; (15)Boiling Point: 662.1 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-17 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. It is harmful if when it is swallowed. It is toxic in contact with skin and it is toxic if it is swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: O3c5c(Nc4cccc(P(c1ccccc1)c2ccccc2)c34)cccc5P(c6ccccc6)c7ccccc7
(2) InChI: InChI=1/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
(3) InChIKey: HSWZLYXRAOXOLL-UHFFFAOYAB

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