Heptyltriphenylphosphonium Bromide - ≥98%(T) , CAS No.13423-48-8

CAS: 13423-48-8 Cat. No.: H157315 Peso molecular: 441.39 Número EC: 236-539-5

GRADE & PURITY ≥98%(T)

Synonyms

heptyl(triphenyl)phosphonium bromide | heptyltriphenylphosphanium bromide | FT-0604972 | SCHEMBL286882 | SY071761 | H0545 | WCZSOHSGMBVYFW-UHFFFAOYSA-M | (1-Heptyl)triphenylphosphonium bromide | A806752 | heptyl(triphenyl)phosphanium;bromide | F10037 | He

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

heptyl(triphenyl)phosphonium bromide | heptyltriphenylphosphanium bromide | FT-0604972 | SCHEMBL286882 | SY071761 | H0545 | WCZSOHSGMBVYFW-UHFFFAOYSA-M | (1-Heptyl)triphenylphosphonium bromide | A806752 | heptyl(triphenyl)phosphanium;bromide | F10037 | He

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504760901
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760901
• Sonrisas canónicas: CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: heptyl(triphenyl)phosphanium;bromide
• InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
• INCHI: 1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• WGK Alemania: 3
• Peso molecular: 441.39
• Reaxy-Rn: 3580843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3580843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 176 °C
• Peso molecular: 441.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 440.127 Da
• Monoisotopic Mass: 440.127 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 313.000
• 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

Referencias

1. Min Wang, Yajie Yue, Jingjing Zhang, Yifan Qin, Liyan Jia, Xu Jing.  (2024)  Dispersive liquid-liquid microextraction based on magnetic deep eutectic solvent for the determination of succinate dehydrogenase inhibitors in water, juice, wine, and vinegar.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106411]

2. Yuxin Wang, Yulin Wang, Jizhen Fu, Suzhen Li, Yawen Zhang, Xiaojiao Zheng, Jin Liu, Li Li, Xu Jing.  (2025)  Semi-automatic emulsification liquid-liquid microextraction with deep eutectic solvent for the determination of strobilurin fungicides in food samples.  TALANTA,      [PMID:39923671] [10.1016/j.talanta.2025.127692]

3. Bin Yu, Songxue Bai, Zhenglin Jia, Haitao Tang, Yong Liu, Hailin Liu, Qianqian Lin.  (2024)  Flexible and Transparent Phosphonium-Based Metal Halide Glass Scintillators for High-Resolution X-ray Imaging.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c01334]

4. Zhou Zi’an, Zheng Jinxiao, Ruan Shihao, Yue Guichu, Feng Tiao, An Yini, Wu Meimei, Wang Nü, Zhou Shuyun, He Linfeng, Sun Chenghua.  (2025)  A transparent hybrid metal halide glassy scintillation screen for high-resolution fast neutron radiography.  Nature Communications,  16  (1): (1-12).  [PMID:40617835] [10.1038/s41467-025-61503-9]

5. Zhi-Wei Chen, Na Lin, Xin-Yue Zhang, Yu-Sha Yan, Li Xiao, Yi-Fan Wu, Cheng-Yang Yue, Dongpeng Yan, Xiao-Wu Lei.  (2025)  A Universal Doping Strategy for Boosting Luminescence Efficiency of Blue-Emitting Hybrid Zn Halides as Ultrastable and Underwater Scintillators.  Aggregate,  6  (9): (e70112).  [PMID:] [10.1002/agt2.70112]