(4-Bromophenyl)phosphonic acid

Base Information

• Chemical Name: (4-Bromophenyl)phosphonic acid
• CAS No.: 16839-13-7
• Molecular Formula: C6H6 Br O3 P
• Molecular Weight: 236.99
• Hs Code.: 2931900090
• European Community (EC) Number: 810-975-1
• NSC Number: 13558
• UNII: XJC5ES69DV
• DSSTox Substance ID: DTXSID00168558
• Nikkaji Number: J174.833E
• Wikidata: Q83038173
• Mol file: 16839-13-7.mol

Synonyms:(4-Bromophenyl)phosphonic acid;16839-13-7;p-Bromobenzenephosphonic acid;Phosphonic acid, (p-bromophenyl)-;Phosphonic acid, (4-bromophenyl)-;(p-Bromophenyl)phosphonic acid;4-bromophenylphosphonic acid;Phosphonic acid,P-(4-bromophenyl)-;NSC 13558;Phosphonic acid, P-(4-bromophenyl)-;BRN 2936778;NSC-13558;4-Bromophenyl phosphonic acid, 98 per cent;(4-Bromophenyl)phosphonicAcid;4-Bromophenylphosponicacid;XJC5ES69DV;SCHEMBL3361462;DTXSID00168558;P-(4-Bromophenyl)phosphonic acid;NSC13558;MFCD00159409;AKOS017345054;AS-62217;LS-106472;B5015;CS-0373858;T70400

Chemical Property of (4-Bromophenyl)phosphonic acid

Chemical Property:

• Vapor Pressure: 5.57E-07mmHg at 25°C
• Melting Point: 200.0 to 204.0 °C
• Boiling Point: 396°C at 760 mmHg
• Flash Point: 193.3°C
• PSA: 67.34000
• Density: 1.9g/cm³
• LogP: 1.25210
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.92379
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

(4-Bromophenyl)phosphonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1P(=O)(O)O)Br

Technology Process of (4-Bromophenyl)phosphonic acid

There total 12 articles about (4-Bromophenyl)phosphonic 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: 100.0%

C12H22BrO3PSi2 → 4-bromophenylphosphonic acid (16839-13-7)

Guidance literature:

With methanol; for 24h; Ambient temperature;

DOI:10.1007/BF00863831

Reference yield: 71.0%

diethyl (4-bromophenyl)phosphonate (20677-12-7) → 4-bromophenylphosphonic acid (16839-13-7)

Guidance literature:

With trimethylsilyl bromide; at 20 ℃;

DOI:10.1016/j.poly.2018.02.030

Reference yield:

→ 4-bromophenylphosphonic acid (16839-13-7)

Guidance literature:

With copper(I) bromide; phosphorus trichloride;

DOI:10.1021/ja01099a051

upstream raw materials:

di-piperidin-1-yl-phosphinic acid chloride

4-bromophenyllithium

(4-Bromophenyl)phosphonsaeure-dichlorid

diethyl (4-bromophenyl)phosphonate

Downstream raw materials:

4,4'-biphenylenebis(phosphonic acid)

(4-hydrazino-phenyl)-phosphonic acid

4-aminophenylphosphonic acid

(4-Bromophenyl)phosphonsaeure-dichlorid

Refernces

• 1、 Varnes, Jeffrey G.,Gero, Thomas,Huang, Shan,Diebold, R. Bruce,Ogoe, Claude,Grover, Paul T.,Su, Mei,Mukherjee, Prasenjit,Saeh, Jamal Carlos,Macintyre, Terry,Repik, Galina,Dillman, Keith,Byth, Kate,Russell, Daniel John,Ioannidis, Stephanos. "Towards the next generation of dual Bcl-2/Bcl-xL inhibitors". . p. 3026 - 3033. Retrieved 2014/06/24.