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(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

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Name

(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

EINECS 1312995-182-4
CAS No. 100165-88-6 Density N/A
PSA 27.18000 LogP 10.41000
Solubility Insoluble in water. Melting Point 252-256 °C
Formula C48H4OP2 Boiling Point 754.4 °C at 760 mmHg
Molecular Weight 678.793 Flash Point 438.8 °C
Transport Information N/A Appearance White powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 100165-88-6 ((S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL) Hazard Symbols N/A
Synonyms

Phosphine,(1S)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)- (9CI);Phosphine,[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)-, (S)-;(-)-Tol-BINAP;(1S)-[1,1'-Binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)phosphine];(S)-2,2'-Bis[bis(4-methylphenyl)phosphino]-1,1'-binaphthyl;(S)-2,2'-Bis[bis(4-tolyl)phosphino]-1,1'-binaphthyl;(S)-4-Me-BINAP;(S)-Tol-BINAP;

Article Data 4

(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl Specification

The Phosphine,1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-bis(4-methylphenyl)-, with the CAS registry number 100165-88-6, has the systematic name of 1,1'-binaphthalene-2,2'-diylbis[bis(4-methylphenyl)phosphane]. It is a kind of white powder, and the molecular formula of the chemical is C48H4OP2.

The characteristics of Phosphine,1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-bis(4-methylphenyl)- are as followings: (1)ACD/LogP: 15.22; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.22; (4)ACD/LogD (pH 7.4): 15.22; (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: 0#H bond donors: 0; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 27.18 Å2; (12)Flash Point: 438.8 °C; (13)Enthalpy of Vaporization: 106.06 kJ/mol; (14)Boiling Point: 754.4 °C at 760 mmHg; (15)Vapour Pressure: 9.63E-22 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: c8c1ccccc1c(c5c2ccccc2ccc5P(c3ccc(cc3)C)c4ccc(cc4)C)c(P(c6ccc(cc6)C)c7ccc(cc7)C)c8
(2)InChI: InChI=1/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
(3)InChIKey: IOPQYDKQISFMJI-UHFFFAOYAD

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