Name: TRIS[2-(DIPHENYLPHOSPHINO)ETHYL]PHOSPHINE
SKU: 23582-03-8

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Basic Information

Molecular Structure:
CAS No.:	23582-03-8
Name:	TRIS[2-(DIPHENYLPHOSPHINO)ETHYL]PHOSPHINE
Article Data:	7

Formula:	C₄₂H₄₂P₄
Molecular Weight:	670.691
Synonyms:	NSC 164875;Tetraphos;Tris(2-diphenylphosphinoethyl)phosphine;Tris(diphenylphosphinoethyl)phosphine;
EINECS:	245-754-3
Melting Point:	134-135 °C(lit.)
Boiling Point:	740.1 °C at 760 mmHg
Flash Point:	429.4 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-37/39
PSA:	54.36000
LogP:	8.86700

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Specification

The Tetraphos, with the CAS registry number 23582-03-8, is also known as NSC164875. It belongs to the product category of Ligand. Its EINECS number is 245-754-3. This chemical's molecular formula is C₄₂H₄₂P₄ and molecular weight is 670.68. Its IUPAC name is called tris(2-diphenylphosphanylethyl)phosphane. This chemical is white to light yellow crystal powder.

Physical properties of Tetraphos: (1)ACD/LogP: 14.06; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.06; (4)ACD/LogD (pH 7.4): 14.06; (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)#Freely Rotating Bonds: 15; (10)Flash Point: 429.4 °C; (11)Enthalpy of Vaporization: 104.13 kJ/mol; (12)Boiling Point: 740.1 °C at 760 mmHg; (13)Vapour Pressure: 6.83E-21 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. 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 protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
(2)InChI: InChI=1S/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2
(3)InChIKey: TVLNGWSWPKIYAO-UHFFFAOYSA-N