Basic information
- Name:
Phosphine,bis(1,1-dimethylethyl)(2'-methyl[1,1'-biphenyl]-2-yl)-
- Superlist Name:
- 2-Di-tert-butylphosphino-2'-methylbiphenyl
- CAS No.:
255837-19-5
- Molecular Structure:
![Molecular Structure of 255837-19-5 (Phosphine,bis(1,1-dimethylethyl)(2'-methyl[1,1'-biphenyl]-2-yl)-)](http://www.lookchem.com/300w/2010/0620/255837-19-5.jpg)
- Formula:
- C21H29P
- Molecular Weight:
- 312.43
- Melting Point:
- 91-93 °C
- Boiling Point:
- 408 °C at 760 mmHg
- Flash Point:
- 211.7 °C
- Appearance:
- White crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 37/39-26 Details
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Specification
The Phosphine,bis(1,1-dimethylethyl)(2'-methyl[1,1'-biphenyl]-2-yl)- is an organic compound with the formula C21H29P. The systematic name of this chemical is di-tert-butyl(2'-methylbiphenyl-2-yl)phosphane. With the CAS registry number 255837-19-5, it is also named as 2-(DI-T-Butylphosphino)-2'-methylbiphenyl. Besides, it should be stored in a closed cool and well-ventilated place.
Physical properties about Phosphine,bis(1,1-dimethylethyl)(2'-methyl[1,1'-biphenyl]-2-yl)- are: (1)ACD/LogP: 7.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 7.24; (5)ACD/BCF (pH 5.5): 188547.25; (6)ACD/BCF (pH 7.4): 188547.25; (7)ACD/KOC (pH 5.5): 207836.52; (8)ACD/KOC (pH 7.4): 207836.52; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 13.59 Å2; (11)Flash Point: 211.7 °C; (12)Enthalpy of Vaporization: 63.43 kJ/mol; (13)Boiling Point: 408 °C at 760 mmHg; (14)Vapour Pressure: 1.71E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: P(c2ccccc2c1ccccc1C)(C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3
(3)InChIKey: UJONYAVMBYXBJQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3
(5)Std. InChIKey: UJONYAVMBYXBJQ-UHFFFAOYSA-N

