CAS No.99646-28-3,(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99646-28-3
Name:	(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL
Article Data:	4

Formula:	C₄₈H₄₀P₂
Molecular Weight:	678.793
Synonyms:	Phosphine,(1R)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)- (9CI);Phosphine,[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)-, (R)-;(1R)-[1,1'-Binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)phosphine];(R)-2,2'-Bis[bis(4-tolyl)phosphino]-1,1'-binaphthyl;(R)-p-tolyl-BINAP;
EINECS:	1312995-182-4
Melting Point:	255-257 °C
Boiling Point:	754.4 °C at 760 mmHg
Flash Point:	438.8 °C
Solubility:	Insoluble in water.
Appearance:	White to cream powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	27.18000
LogP:	10.41000

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Specification

The Phosphine,1,1'-(1R)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)-, with the CAS registry number 99646-28-3, is also known as (R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl. This chemical's molecular formula is C₄₈H₄₀P₂ and molecular weight is 678.78. Its systematic name is called 1,1'-binaphthalene-2,2'-diylbis[bis(4-methylphenyl)phosphane]. This chemical is white to cream powder.

Physical properties of Phosphine,1,1'-(1R)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)-: (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; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (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.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into 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