2-Phenylvinylphosphonic acid

Base Information

• Chemical Name: 2-Phenylvinylphosphonic acid
• CAS No.: 1707-08-0
• Molecular Formula: C8H9 O3 P
• Molecular Weight: 184.131
• Hs Code.: 2931900090
• European Community (EC) Number: 254-180-2,216-949-0
• NSC Number: 114546
• DSSTox Substance ID: DTXSID80192139
• Nikkaji Number: J1.878.152B,J157.834K
• Wikidata: Q83064769
• ChEMBL ID: CHEMBL4645111
• Mol file: 1707-08-0.mol

Synonyms:2-Phenylvinylphosphonic acid;1707-08-0;[(E)-2-phenylethenyl]phosphonic acid;Styrene, monophosphono derivative;Styrylphosphonic acid;EINECS 254-180-2;Phosphonic acid,P-(2-phenylethenyl)-;BETA-STYRENE PHOSPONIC ACID;EINECS 216-949-0;Phosphonic acid, (2-phenylethenyl)-;38890-40-3;C8-H9-O3-P;NSC114546;Phosphonic acid, styryl-;C8H9O3P;[(E)-Styryl]phosphonic acid;CHEMBL4645111;DTXSID80192139;(E)-2-Phenylethenylphosphonic acid;STK763682;(E)-2-Phenylethenylphosphonic acid #;AKOS005614607;(E)-2-phenyl-1-ethenylphosphonic acid;[(1E)-2-phenylethenyl]phosphonic acid;NSC 114546;NSC-114546;Benzene, ethenyl-, monophosphono derivative;W-109699

Chemical Property of 2-Phenylvinylphosphonic acid

Chemical Property:

• Vapor Pressure: 6.46E-07mmHg at 25°C
• Melting Point: 142.0-142.5 °C
• Boiling Point: 394°Cat760mmHg
• PKA: 2.01±0.10(Predicted)
• Flash Point: 192.1°C
• PSA: 67.34000
• Density: 1.383g/cm³
• LogP: 1.83500
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.02893114
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

95%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CP(=O)(O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/P(=O)(O)O

Technology Process of 2-Phenylvinylphosphonic acid

There total 8 articles about 2-Phenylvinylphosphonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

diethyl styrylphosphonate (1018-24-2) → styrylphosphonic acid (1707-08-0)

Guidance literature:

With trimethylsilyl bromide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + chlorine (7782-50-5) + phosphorus trichloride (7719-12-2,52843-90-0) → styrylphosphonic acid (1707-08-0) + 1-(1,2-dichloroethyl)benzene (1074-11-9)

Guidance literature:

folgende Hydrolyse mit Wasser;

DOI:10.1021/ja01216a034

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → styrylphosphonic acid (1707-08-0)

Guidance literature:

styrene; With phosphorus pentachloride; In toluene; at 60 - 70 ℃; for 1h; Inert atmosphere;

With water;

DOI:10.1080/00958972.2014.928289

upstream raw materials:

dimethyl 2-phenylethenylphosphonate

styrene

phosphorus pentachloride

benzene

Downstream raw materials:

C₁₆H₁₆O₅P₂*2H₃N

Refernces

• 1、 Okamoto et al.. "". . p. 2903. Retrieved 1974.