CAS No.940934-47-4,4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-dimethyl-8aH-xanthene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	940934-47-4
Name:	4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro- 9,9-dimethyl-8aH-xanthene

Formula:	C₃₉H₅₆OP₂
Molecular Weight:	602.821
Synonyms:	4,5-Bis(dicyclohexylphosphino)-9,10a-Dihydro-9,9-Dimethyl-8ah-Xanthene;(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dicyclohexylphosphane);
EINECS:	1312995-182-4
Melting Point:	169.0 to 174.0 °C
Boiling Point:	706.8 °C at 760 mmHg
Flash Point:	482.1 °C
PSA:	36.41000
LogP:	11.71500

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Specification

The Phosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-dicyclohexyl-, with the CAS registry number 940934-47-4, has the systematic name of (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dicyclohexylphosphane). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₃₉H₅₆OP₂.

The characteristics of Phosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-dicyclohexyl- are as followings: (1)ACD/LogP: 13.90; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.9; (4)ACD/LogD (pH 7.4): 13.9; (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: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.41 Å²; (13)Flash Point: 482.1 °C; (14)Enthalpy of Vaporization: 99.71 kJ/mol; (15)Boiling Point: 706.8 °C at 760 mmHg; (16)Vapour Pressure: 5.19E-19 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O6c1c(cccc1P(C2CCCCC2)C3CCCCC3)C(c7cccc(P(C4CCCCC4)C5CCCCC5)c67)(C)C
(2)InChI: InChI=1/C39H56OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-32H,3-14,17-24H2,1-2H3
(3)InChIKey: KFSJDZIGSNSKSJ-UHFFFAOYAN