Phosphonic acid, (m-bromophenyl)-

Base Information

• Chemical Name: Phosphonic acid, (m-bromophenyl)-
• CAS No.: 6959-02-0
• Molecular Formula: C6H6 Br O3 P
• Molecular Weight: 236.99
• Hs Code.: 2931900090
• NSC Number: 66416
• DSSTox Substance ID: DTXSID00219852
• Nikkaji Number: J174.832G
• Wikidata: Q83096879
• Mol file: 6959-02-0.mol

Synonyms:(3-bromophenyl)phosphonic acid;6959-02-0;Phosphonic acid, (m-bromophenyl)-;3-Bromophenylphosphonic acid;Phosphonic acid, (3-bromophenyl)-;(m-Bromophenyl)phosphonic acid;m-Bromophenylphosphonic acid;BRN 2936775;m-bromophenyl-phosphonic acid;SCHEMBL4337110;DTXSID00219852;FVXYXYBKMLOQGI-UHFFFAOYSA-N;NSC66416;MFCD00461691;NSC 66416;NSC-66416;AKOS017344986

Chemical Property of Phosphonic acid, (m-bromophenyl)-

Chemical Property:

• Vapor Pressure: 1.56E-07mmHg at 25°C
• Melting Point: 152-153 °C
• Boiling Point: 412.2°C at 760 mmHg
• PKA: 1.57±0.10(Predicted)
• Flash Point: 203.1°C
• PSA: 67.34000
• Density: 1.9g/cm³
• LogP: 1.25210
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.92379
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

3-BROMOPHENYL PHOSPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, (m-bromophenyl)-

There total 6 articles about Phosphonic acid, (m-bromophenyl)- 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: 97.0%

(3-bromo-phenyl)phosphonic acid diethyl ester (35125-65-6) → 3-bromophenylphosphonic Acid (6959-02-0)

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

DOI:10.1002/adfm.201901878

Reference yield: 24.0%

3-bromobenzene-1-diazonium tetrafluoroborate → 3-bromophenylphosphonic Acid (6959-02-0)

Guidance literature:

3-bromobenzene-1-diazonium tetrafluoroborate; With copper(I) bromide; phosphorus trichloride; In ethyl acetate; at 20 - 50 ℃;

With sodium hydroxide; water;

With hydrogenchloride; In water; at 20 ℃; pH=4;

Reference yield:

→ 3-bromophenylphosphonic Acid (6959-02-0)

Guidance literature:

With copper(I) bromide; phosphorus trichloride;

DOI:10.1021/ja01099a051

upstream raw materials:

m-aminophenylphosphonic acid

(3-bromo-phenyl)phosphonic acid diethyl ester

Downstream raw materials:

(3-hydrazino-phenyl)-phosphonic acid

(3-methylamino-phenyl)-phosphonic acid

(3-bromo-phenyl)-phosphonic acid-dichloride