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147253-67-6

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Basic Information
CAS No.: 147253-67-6
Name: (-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
Article Data: 5
Molecular Structure:
Molecular Structure of 147253-67-6 ((-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE)
Formula: C18H28P2
Molecular Weight: 306.368
Synonyms: Phospholane,1,1'-(1,2-phenylene)bis[2,5-dimethyl-, [2R-[1(2'R*,5'R*),2a,5b]]- (9CI);1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene;(-)-1,2-Bis(2R,5R-2,5-dimethylphospholano)benzene;(-)-1,2-Bis[(2R,5R)-dimethylphospholano]benzene;(2R,2'R,5R,5'R)-1,1'-(1,2-phenylene)bis[2,5-dimethylphospholane];(R,R)-1,2-Bis(2,5-dimethylphospholano)benzene;(R,R)-MeDuPHOS;(R,R)-Methyl-DuPhos;1,2-Bis((2R,5R)-2,5-dimethylphospholan-1-yl)benzene;
Melting Point: 66-76 °C
Boiling Point: 414.958 °C at 760 mmHg
Flash Point: 216.272 °C
Solubility: Insoluble in water.
Appearance: 22-24/25
Safety: 22-24/25
PSA: 27.18000
LogP: 5.04260
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Specification

This chemical is called Phospholane, 1,1'-(1,2-phenylene)bis[2,5-dimethyl-, (2R,2'R,5R,5'R)-, and its systematic name is (2R,5R,2'R,5'R)-1,1'-benzene-1,2-diylbis(2,5-dimethylphospholane). With the molecular formula of C18H28P2, its molecular weight is 306.36. The CAS registry number of this chemical is 147253-67-6.

Other characteristics of the Phospholane, 1,1'-(1,2-phenylene)bis[2,5-dimethyl-, (2R,2'R,5R,5'R)- can be summarised as followings: (1)ACD/LogP: 5.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.77; (4)ACD/LogD (pH 7.4): 5.77; (5)ACD/BCF (pH 5.5): 14243.49; (6)ACD/BCF (pH 7.4): 14243.49; (7)ACD/KOC (pH 5.5): 32714.95; (8)ACD/KOC (pH 7.4): 32714.95; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.18 Å2; (13)Flash Point: 216.3 °C; (14)Enthalpy of Vaporization: 64.2 kJ/mol; (15)Boiling Point: 415 °C at 760 mmHg; (16)Vapour Pressure: 1.03E-06 mmHg at 25°C.  

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc(c(cc1)P2[C@@H](CC[C@H]2C)C)P3[C@H](C)CC[C@H]3C
2.InChI: InChI=1/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1 3.InChIKey: AJNZWRKTWQLAJK-KLHDSHLOBU