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(2R,3R)-(+)-2,3-Bis(diphenylphosphino)butane

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Name

(2R,3R)-(+)-2,3-Bis(diphenylphosphino)butane

EINECS N/A
CAS No. 74839-84-2 Density N/A
PSA 27.18000 LogP 6.02920
Solubility N/A Melting Point 104-109 °C
Formula C28H28P2 Boiling Point 529.2 °C at 760 mmHg
Molecular Weight 426.478 Flash Point 291.2 °C
Transport Information N/A Appearance N/A
Safety 36/37/39-26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 74839-84-2 ((2R,3R)-(+)-BIS(DIPHENYLPHOSPHINO)BUTANE) Hazard Symbols IrritantXi
Synonyms

Phosphine,(1,2-dimethyl-1,2-ethanediyl)bis[diphenyl-, [R-(R*,R*)]-;Phosphine,[(1R,2R)-1,2-dimethyl-1,2-ethanediyl]bis[diphenyl- (9CI);(2R,3R)-Bis(diphenylphosphino)butane;(R,R)-2,3-Bis(diphenylphosphino)butane;(R,R)-Chiraphos;CIRA;(2R,3R)-butane-2,3-diylbis(diphenylphosphane);

Article Data 1

(2R,3R)-(+)-2,3-Bis(diphenylphosphino)butane Specification

The (2R,3R)-(+)-Bis(diphenylphosphino)butane, with the CAS registry number 74839-84-2, is also known as (R,R)-Chiraphos. This chemical's molecular formula is C28H28P2 and molecular weight is 426.47. What's more, its systematic name is (2R,3R)-butane-2,3-diylbis(diphenylphosphane). The product should be sealed and stored in containers with dry inert nitrogen which are placed in cool, ventilated and dry places.

Physical properties of (2R,3R)-(+)-Bis(diphenylphosphino)butane are: (1)ACD/LogP: 9.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.43; (4)ACD/LogD (pH 7.4): 9.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3216258.25; (8)ACD/KOC (pH 7.4): 3216258.25; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 27.18 Å2; (11)Flash Point: 291.2 °C; (12)Enthalpy of Vaporization: 77.39 kJ/mol; (13)Boiling Point: 529.2 °C at 760 mmHg; (14)Vapour Pressure: 9.4E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: P(c1ccccc1)(c2ccccc2)[C@@H]([C@H](P(c3ccccc3)c4ccccc4)C)C
(2)InChI: InChI=1/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m1/s1
(3)InChIKey: FWXAUDSWDBGCMN-DNQXCXABBB

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