Choline dihydrogen phosphate

Base Information

• Chemical Name: Choline dihydrogen phosphate
• CAS No.: 83846-92-8
• Molecular Formula: C₅H₁₄NO*H₂O₄P
• Molecular Weight: 201.16
• European Community (EC) Number: 281-072-2
• UNII: D53S359B6B
• DSSTox Substance ID: DTXSID00232748
• Wikidata: Q27276108
• Mol file: 83846-92-8.mol

Synonyms:Choline dihydrogen phosphate;83846-92-8;2-Hydroxy-N,N,N-trimethylethanaminium dihydrogenphosphate;dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;UNII-D53S359B6B;D53S359B6B;EINECS 281-072-2;2-Hydroxy-N,N,N-trimethylethanaminiumdihydrogenphosphate;C5H14NO.H2O4P;SCHEMBL316336;DTXSID00232748;Choline dihydrogen phosphate,>98%;MFCD00050268;C5-H14-N-O.H2-O4-P;AKOS016003249;(2-hydroxyethyl)trimethylammonium dihydrogen phosphate;Q27276108;ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1);ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1) (SALT)

Chemical Property of Choline dihydrogen phosphate

Chemical Property:

• PSA: 110.63000
• LogP: -0.80550
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.07660961
• Heavy Atom Count: 12
• Complexity: 96.3

Purity/Quality:

99%, ^*data from raw suppliers

2-Hydroxy-N,N,N-trimethylethanaminiumdihydrogenphosphate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCO.OP(=O)(O)[O-]

Technology Process of Choline dihydrogen phosphate

There total 7 articles about Choline 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: 100.0%

phosphoric acid (86119-84-8,7664-38-2) + cholinium hydrogen carbonate (78-73-9) → choline choline dihydrogen phosphate (83846-92-8)

Guidance literature:

In water; at 20 ℃;

DOI:10.1039/c5nj00178a

Reference yield:

cholin hydroxide (123-41-1) → choline choline dihydrogen phosphate (83846-92-8)

Guidance literature:

With phosphoric acid;

Reference yield:

cholin hydroxide (123-41-1) → choline monohydrophosphate (83846-92-8)

Guidance literature:

With phosphoric acid;

DOI:10.1016/j.cattod.2014.07.021

upstream raw materials:

choline chloride

cholin hydroxide

phosphoric acid

choline bromide

Refernces

• 1、 Winther-Jensen, Orawan,Vijayaraghavan,Sun, Jiazeng,Winther-Jensen, Bjorn,MacFarlane, Douglas R.. "Self polymerising ionic liquid gel". . p. 3041 - 3043. Retrieved 2009.
• 2、 Zhu, Anlian,Li, Lingjun,Zhang, Chi,Shen, Yutan,Tang, Mingjie,Bai, Lili,Du, Chunyan,Zhang, Suojiang,Wang, Jianji. "An integrated high-throughput strategy enables the discovery of multifunctional ionic liquids for sustainable chemical processes". supporting information. p. 307 - 313. Retrieved 2019/01/28.
• 3、 Ressmann, Anna K.,García, Eric González,Khlan, Diana,Gaertner, Peter,Mach, Robert L.,Krska, Rudolf,Brunner, Kurt,Bica, Katharina. "Fast and efficient extraction of DNA from meat and meat derived products using aqueous ionic liquid buffer systems". supporting information. p. 4994 - 5002. Retrieved 2015/06/16.