2-Chloro-4-nitrophenyl dihydrogen phosphate

Base Information

• Chemical Name: 2-Chloro-4-nitrophenyl dihydrogen phosphate
• CAS No.: 14957-98-3
• Molecular Formula: C₆H₅ClNO₆P
• Molecular Weight: 253.536
• DSSTox Substance ID: DTXSID40439315
• Nikkaji Number: J2.751.346H
• Wikidata: Q82255234
• Mol file: 14957-98-3.mol

Synonyms:2-Chloro-4-nitrophenyl dihydrogen phosphate;14957-98-3;(2-chloro-4-nitrophenyl) dihydrogen phosphate;2-chloro-4-nitrophenyl phosphate;AGN-PC-0N3TPY;SCHEMBL1134003;DTXSID40439315;2-Chloro-4-nitrophenyldihydrogenphosphate;(2-chloro-4-nitrophenoxy)phosphonic acid;Phosphoric acid 2-chloro-4-nitrophenyl ester;A919724

Chemical Property of 2-Chloro-4-nitrophenyl dihydrogen phosphate

Chemical Property:

• Boiling Point: 470.3±55.0 °C(Predicted)
• PKA: 0.67±0.50(Predicted)
• PSA: 122.39000
• Density: 1.812±0.06 g/cm3(Predicted)
• LogP: 2.24290
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 252.9543016
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-nitrophenyldihydrogenphosphate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)OP(=O)(O)O

Technology Process of 2-Chloro-4-nitrophenyl dihydrogen phosphate

There total 2 articles about 2-Chloro-4-nitrophenyl dihydrogen phosphate 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:

2-chloro-4-nitrophenol (619-08-9) → <2-Chlor-4-nitro-phenyl>-dihydrogenphosphat (14957-98-3)

Guidance literature:

Multistep reaction; (i) ClPO(OCH₂Ph)2, 2,6-dimethyl-pyridine, Et₂O, (ii) HBr, CHCl₃;

DOI:10.1021/ja00978a044

Reference yield:

→ <2-Chlor-4-nitro-phenyl>-dihydrogenphosphat (14957-98-3)

Guidance literature:

entspr. Phenol, POCl3;

upstream raw materials:

2-chloro-4-nitrophenol