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Tri-m-tolylphosphine

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Name

Tri-m-tolylphosphine

EINECS 228-312-4
CAS No. 6224-63-1 Density N/A
PSA 13.59000 LogP 4.37000
Solubility insoluble in water Melting Point 97-99 °C(lit.)
Formula C21H21P Boiling Point 423.1 °C at 760 mmHg
Molecular Weight 304.371 Flash Point 221.6 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6224-63-1 (Tri-m-tolylphosphine) Hazard Symbols IrritantXi
Synonyms

Phosphine,tri-m-tolyl- (7CI,8CI);Tri-m-tolylphosphine;Tris(3-methylphenyl)phosphine;Tris(3-toluene)phosphine;Tris(3-tolyl)phosphine;Tris(m-methylphenyl)phosphine;Tris(m-tolyl)phosphine;

Article Data 17

Tri-m-tolylphosphine Specification

The Tris(3-methylphenyl)phosphine with the CAS number 6224-63-1 is also called Phosphine,tris(3-methylphenyl)-. Its EINECS registry number is 228-312-4. The molecular formula is C21H21P. This chemical belongs to the following product categories: (1)Ligand; (2)Phosphine Ligands; (3)Synthetic Organic Chemistry; (4)Basic Phosphine LigandsCatalysis and Inorganic Chemistry; (5)Catalysis and Inorganic Chemistry; (6)Cross-Coupling; (7)Phosphine Ligands; (8)Phosphorus Compounds.

The properties of the chemical are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 139115.45; (6)ACD/BCF (pH 7.4): 139115.45; (7)ACD/KOC (pH 5.5): 167188.17; (8)ACD/KOC (pH 7.4): 167188.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Enthalpy of Vaporization: 65.11 kJ/mol; (14)Vapour Pressure: 5.65×10-7 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c3c(P(c1cc(ccc1)C)c2cc(ccc2)C)cc(cc3)C
(2)InChI: InChI=1/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
(3)InChIKey: LFNXCUNDYSYVJY-UHFFFAOYAN

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