Tetrabutylammonium phosphate monobasic - ≥98% , CAS No.5574-97-0

CAS: 5574-97-0 Cat. No.: T106817 Molecular Weight: 339.45 Beilstein Registry Number: 5196532 EC Number: 226-947-1

GRADE & PURITY ≥98%

Synonyms

Tetrabutylammonium Phosphate | IPC-TBA-P | Tetrabutylammonium dihydrogen phosphate

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Tetrabutylammonium phosphate monobasic is a synthetic reagent

Specifications

Synonyms

Tetrabutylammonium Phosphate | IPC-TBA-P | Tetrabutylammonium dihydrogen phosphate

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761245
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• IUPAC Name: dihydrogen phosphate;tetrabutylazanium
• InChIKey: ARRNBPCNZJXHRJ-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• WGK Germany: 3
• Molecular Weight: 339.45
• Beilstein: 5196532

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoric acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic phosphoric acid derivative - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetonitrile, ethanol and water.
• Sensitivity: Moisture, light and air sensitive
• Melt Point(°C): 151-154 °C
• Molecular Weight: 339.450 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 339.254 Da
• Monoisotopic Mass: 339.254 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Dongyang Shen, Zhenwei Ren, Qinyi Li, Chengzhao Luo, Wenlin Xia, Zhishuai Zheng, Wenchen Ma, Jie Li, Yu Chen.  (2022)  Highly Emissive Quasi-2D Perovskites Enabled by a Multifunctional Molecule for Bright Light-Emitting Diodes.  ACS Applied Materials & Interfaces,      [PMID:35500270] [10.1021/acsami.2c01859]

2. Yu Ding, Qiaochu Wang, Guangqu Liu, Yaqian Feng, Wei Zhou.  (2020)  Cholesterol moieties as building blocks for assembling nanoparticles to achieve effective oral delivery of insulin.  Biomaterials Science,  8  (14): (3979-3993).  [PMID:32572402] [10.1039/D0BM00577K]

3. Aiqing Feng, Yongmei Jia, Liping Huang, Lin Wang, Guohua Zhou, Sheng Wang, Peilian Liu.  (2019)  1,6-Elimination reaction induced detection of fluoride ions in vitro and in vivo based on a NIR fluorescent probe.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31146206] [10.1016/j.saa.2019.05.013]

4. Xuefang Shang, Xuejing Yue, Yanmei Chen, Congshu Li, Hongli Chen, Tianyun Wang.  (2018)  Design, synthesis, crystal structure and cytotoxicity studies of colorimetric fluorescent “OFF-ON” probes for rapid detection of hydrogen sulfide based on Cu(II) complex.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2018.10.030]

5. Chen Yanmei, Shang Xuefang, Li Congshu, Xue Zhenzhen, Chen Hongli, Wu Hongwei, Wang Tianyun.  (2018)  The synthesis, crystal, hydrogen sulfide detection and cell assement of novel chemsensors based on coumarin derivatives.  Scientific Reports,  8  (1): (1-9).  [PMID:30385799] [10.1038/s41598-018-34331-9]

6. Shang Xuefang, Li Jie, Feng Yaqian, Chen Hongli, Guo Wei, Zhang Jinlian, Wang Tianyun, Xu Xiufang.  (2018)  Low-Cytotoxicity Fluorescent Probes Based on Anthracene Derivatives for Hydrogen Sulfide Detection.  Frontiers in Chemistry,      [PMID:29988478] [10.3389/fchem.2018.00202]

7. Yanmei Chen, Xuefang Shang, Xing Zhao, Jie Li, Jianmei Yuan, Hongli Chen, Jinlian Zhang, Tianyun Wang.  (2018)  Highly selective probes of copper(II) complexes for sulfide detection and cytotoxicity assay.  Journal of Sulfur Chemistry,      [PMID:] [10.1080/17415993.2018.1425410]

8. Kui Ren, Xuefang Shang, Yanmei Chen, Xueli Zhang, Jiajia Fu, Peipei Zhao, Jinlian Zhang.  (2016)  Synthesis and crystal structure of a highly selective colorimetric and fluorometric sensor for hydrogen sulfide.  LUMINESCENCE,  32  (5): (765-771).  [PMID:28026099] [10.1002/bio.3248]

9. Kui Ren, Xuefang Shang, Jiajia Fu, Peipei Zhao, Jinlian Zhang.  (2015)  Copper complex based on 2-(phenylimino-methyl)-phenol as a high selective fluoresencent probe for hydrogen sulfide.  POLYHEDRON,      [PMID:] [10.1016/j.poly.2015.11.022]

10. Xuefang Shang, Wanli Li, Yaqian Feng, Xin Li, Xiufang Xu.  (2015)  Double Properties of Novel Acylhydrazone Nanomaterials Based on a Conjugated System: Anion Binding Ability and Antibacterial Activity.  Applied Sciences-Basel,  5  (4): (910-925).  [PMID:] [10.3390/app5040910]

11. Xuefang Shang, Wanli Li, Xiaofang Wei, Huanle Zhang, Zhiyuan Fu, Jinlian Zhang, Xiufang Xu.  (2014)  Synthesis, Bioactivity, and the Anion-Binding Property of 2-Sulfydryl-1,3,4-thiodiazole Derivatives.  HETEROATOM CHEMISTRY,  26  (2): (142-149).  [PMID:] [10.1002/hc.21239]

12. Wei Lu, Jinting Zhou, Keyuan Liu, Dan Chen, Liming Jiang, Zhiquan Shen.  (2013)  A polymeric film probe with a turn-on fluorescence response to hydrogen sulfate ions in aqueous media.  Journal of Materials Chemistry B,  1  (38): (5014-5020).  [PMID:32261091] [10.1039/C3TB20731E]