Hexaphenoxycyclotriphosphazene - ≥98%(HPLC) , CAS No.1184-10-7

CAS: 1184-10-7 Cat. No.: H138074 Peso molecular: 693.57

GRADE & PURITY ≥98%(HPLC)

Synonyms

1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy- | 2,2,4,4,6,6-hexaphenoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine | NSC117810 | NSC-117810 | SY055946 | 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambd

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 5, 2, 4, 6-Triazatriphosphorine, 2, 2, 4, 4, 6, 6-hexahydro-2, 2, 4, 4, 6, 6-hexaphenoxy- | 2, 2, 4, 4, 6, 6-hexaphenoxy-1, 3, 5, 2lambda~5~, 4lambda~5~, 6lambda~5~-triazatriphosphinine | NSC117810 | NSC-117810 | SY055946 | 2, 2, 4, 4, 6, 6-hexaphenoxy-1, 3, 5-triaza-2lambda5, 4lambd

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488187915
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187915
• Sonrisas canónicas: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
• IUPAC Name: 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• InChIKey: RNFJDJUURJAICM-UHFFFAOYSA-N
• INCHI: 1S/C36H30N3O6P3/c1-7-19-31(20-8-1)40-46(41-32-21-9-2-10-22-32)37-47(42-33-23-11-3-12-24-33,43-34-25-13-4-14-26-34)39-48(38-46,44-35-27-15-5-16-28-35)45-36-29-17-6-18-30-36/h1-30H
• Isómeros SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
• Peso molecular: 693.57
• Reaxy-Rn: 1899523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1899523&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Organooxygen compounds Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Solubilidad: souble in Toluene
• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 280 °C/0.1 mmHg
• Punto de fusión (°C): 114 °C
• Peso molecular: 693.600 g/mol
• XLogP3: 11.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 693.135 Da
• Monoisotopic Mass: 693.135 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 911.000
• 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: 1

Referencias

1. Zicheng Fan, Insub Noh, Changlong Zhuang, Qingqing Liu, Yanbin Wang, Hyung Do Kim, Meng Yue, Hideo Ohkita, Biaobing Wang.  (2023)  A polar polyimide as multifunctional flame retardant for epoxy resin through constructing intimate 3D interpenetrating polymer network.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112383]

2. Jun Wang, Tingting Li, Jen-Shyang Ni, Heng Guo, Tianyi Kang, Zeshun Li, Menglei Zha, Songbo Lu, Chen Zhang, Weizhi Qi, Lei Xi, Kai Li.  (2021)  Photoacoustic Force-Guided Precise and Fast Delivery of Nanomedicine with Boosted Therapeutic Efficacy.  Advanced Science,  8  (16): (2100228).  [PMID:34081400] [10.1002/advs.202100228]

3. Jiali Huang, Wenwen Guo, Xin Wang, Lei Song, Yuan Hu.  (2021)  Intrinsically flame retardant cardanol-based epoxy monomer for high-performance thermosets.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2021.109519]

4. Yingting Yin, Wei Li, Jinbo Yao, Jiarong Niu.  (2024)  Preparation of a flame-retardant waterborne polyurethane with core–shell structure and its application in a fire-resistant microfiber synthetic leather.  Polymer Chemistry,      [PMID:] [10.1039/D4PY00547C]

5. Ruobing Bai, Hongyi Xian, Yu Feng, Xiyun Huang, Shiyue Tang, Zhiming Li, Long Zhang, Yizhou Zhong, Wanyan Wu, Jiangpeng Tang, Chudan Gao, Li Yan, Xinguang Zhong, Da Chen, Zhenlie Huang.  (2025)  Developmental and Neurobehavioral Toxicity of Hexaphenoxycyclotriphosphazene: Implications for Its Safety as a Flame-Retardant Alternative to Triphenyl Phosphate.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40957726] [10.1021/acs.est.5c07209]