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1707-03-5

Basic Information
CAS No.: 1707-03-5
Name: Diphenylphosphinic acid
Article Data: 230
Molecular Structure:
Molecular Structure of 1707-03-5 (Diphenylphosphinic acid)
Formula: C12H11O2P
Molecular Weight: 218.192
Synonyms: NSC 13583;Phosphinicacid, diphenyl- (6CI,8CI,9CI);Hydroxydiphenylphosphine oxide;
EINECS: 216-948-5
Density: 1.25 g/cm3
Melting Point: 193-196 °C
Boiling Point: 446.2 °C at 760 mmHg
Flash Point: 223.7 °C
Solubility: Soluble in water.
Appearance: white fine crystalline solid
Risk Codes: 36/37/38
Safety: 22-24/25
PSA: 47.11000
LogP: 1.90780
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  • 1707-03-5  CAS NO.1707-03-5

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    1707-03-5 CAS NO.1707-03-5

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  • Diphenylphosphinic acid

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    Diphenylphosphinic acid

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    Product name Diphenylphosphinic acid Content ≥98% CAS NO. 1707-03-5 Package Structure Formula Appearance:Detailed s

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Specification

The IUPAC name of this chemical is diphenylphosphinic acid. With the CAS registry number 1707-03-5, it is also named as Hydroxydiphenylphosphine oxide; Phosphinic acid, diphenyl-. The product's categories are organic building blocks; phosphonic / phosphinic acids; phosphorus compounds. It is white fine crystalline solid which should be stored in a tightly closed container and in a cool, dry, well-ventilated area away from incompatible substances.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 59.73 cm3; (14)Molar Volume: 174 cm3; (15)Polarizability: 23.68×10-24 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Enthalpy of Vaporization: 74.23 kJ/mol; (18)Vapour Pressure: 9.59E-09 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 218.049666; (21)MonoIsotopic Mass: 218.049666; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 15; (24)Complexity: 218.

Preparation of Diphenylphosphinic acid: It can be obtained by the heating of diphenylphosphane oxide with the reagent KOH and solvent aq. ethanol. The reaction time is 4.0 hours. The yield is 100 %. 

Uses of Diphenylphosphinic acid: It is used as a pharmaceutical intermediate. And it is also used in organic synthesis. For example: It reacts with N-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-acetamide to get (1-acetamido-1-trifluoromethyl-2,2,2-trifluoroethyl)diphenyl phosphine oxide. This reaction needs solvent diethyl ether at ambient temperature. The yield is 92 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. so people should not breathe dust and avoid contact with skin and eyes. Wash thoroughly after handling, remove contaminated clothing and wash before reuse.  

People can use the following data to convert to the molecule structure.
1. SMILES: O=P(O)(c1ccccc1)c2ccccc2;
2. InChI: InChI=1/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14).

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 256, 1953.