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13991-08-7

Basic Information
CAS No.: 13991-08-7
Name: 1,2-BIS(DIPHENYLPHOSPHINO)BENZENE
Article Data: 12
Molecular Structure:
Molecular Structure of 13991-08-7 (1,2-BIS(DIPHENYLPHOSPHINO)BENZENE)
Formula: C30H24P2
Molecular Weight: 446.468
Synonyms: Phosphine,1,2-phenylenebis[diphenyl- (9CI);Phosphine, o-phenylenebis[diphenyl-(6CI,8CI);1,2-Bis(diphenylphosphanyl)benzene;1,2-Bis(diphenylphosphino)benzene;o-Bis(diphenylphosphino)benzene;o-Phenylenebis[diphenylphosphine];
Melting Point: 184-189 °C
Boiling Point: 546.942 °C at 760 mmHg
Flash Point: 302.787 °C
Solubility: Insoluble in water.
Appearance: white to light yellow crystal powde
Risk Codes: 36/37/38
Safety: 24/25
PSA: 27.18000
LogP: 5.20300
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Specification

This chemical is called Benzene-1,2-diylbis(diphenylphosphane), and its CAS registry number is 13991-08-7. With the molecular formula of C30H24P2, its product categories are Ligand; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Polydentate Phosphine Ligands. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.

Other characteristics of the cBenzene-1,2-diylbis(diphenylphosphane) can be summarised as followings: (1)ACD/LogP: 9.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.203; (4)ACD/LogD (pH 7.4): 9.203; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2418472.25; (8)ACD/KOC (pH 7.4): 2418472.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.18 Å2; (13)Flash Point: 302.787 °C; (14)Enthalpy of Vaporization: 79.526 kJ/mol; (15)Boiling Point: 546.942 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: The Benzene-1,2-diylbis(diphenylphosphane) could react with fluorosulfuric acid methyl ester, and obtain the o-Phenylenbis(methyldiphenylphosphonium-fluorosulfat). This reaction needs the reagent of CH2Cl2. The yield is 49 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccc(cc1)P(c2ccccc2)c3ccccc3P(c4ccccc4)c5ccccc5
2.InChI: InChI=1/C30H24P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H 3.InChIKey: NFRYVRNCDXULEX-UHFFFAOYAN