Tris(1,3-dichloro-2-propyl) Phosphate - ≥95% , CAS No.13674-87-8

CAS: 13674-87-8 Cat. No.: T162671 Molecular Weight: 430.89 EC Number: 237-159-2 PubChem CID: 26177

GRADE & PURITY ≥95%

Synonyms

CRP (fireproofing agent) | Fyrol FR 2 | TDCPP, analytical standard | ASLWPAWFJZFCKF-UHFFFAOYSA-N | EINECS 237-159-2 | PF 38/3 | SCHEMBL333198 | Tox21_202166 | A807122 | AKOS015856734 | CHEBI:143729 | Fosforan troj-(1,3-dwuchloroizopropylowy) [Polish] | In

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

CRP (fireproofing agent) | Fyrol FR 2 | TDCPP, analytical standard | ASLWPAWFJZFCKF-UHFFFAOYSA-N | EINECS 237-159-2 | PF 38/3 | SCHEMBL333198 | Tox21_202166 | A807122 | AKOS015856734 | CHEBI:143729 | Fosforan troj-(1, 3-dwuchloroizopropylowy) [Polish] | In

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
• IUPAC Name: tris(1,3-dichloropropan-2-yl) phosphate
• InChIKey: ASLWPAWFJZFCKF-UHFFFAOYSA-N
• INCHI: 1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
• Isomeric SMILES: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
• RTECS: UB1473000
• PubChem CID: 26177
• Molecular Weight: 430.89
• Reaxy-Rn: 1715458

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water; Degree of Solubility in water: 7 mg/l 24 °C
• Refractive Index: 1.50
• Flash Point(°C): 249°C
• Boil Point(°C): 252°C
• Molecular Weight: 430.900 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 429.881 Da
• Monoisotopic Mass: 427.884 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 243.000
• 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

References

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4. Chen Wang, Jing An, Yingchen Bai, Hui Li, Haibo Chen, Dong Ou, Yongdi Liu.  (2018)  Tris(1,3-dichloro-2-propyl) phosphate accelerated the aging process induced by the 4-hydroxynon-2-enal response to reactive oxidative species in Caenorhabditis elegans.  ENVIRONMENTAL POLLUTION,      [PMID:31159140] [10.1016/j.envpol.2018.12.082]

5. Huanhuan Zhu, Shuo Chen, Xiaoying Huang, Xi Chen, Zhengjun Gong.  (2024)  An ingenious chemiluminescence sensing strategy for recalcitrant triphenyl phosphate based on oxidant-free UV-activated MIL-100(Fe) gel system.  ANALYTICA CHIMICA ACTA,      [PMID:39489957] [10.1016/j.aca.2024.343274]

6. Zhujun Luo, Lizhu Yuan, Jonathan W.C. Wong, Minghan Zhu, Yuanyuan Yu, Kai Wang, Hua Yin, Shaoyu Tang, Junfeng Niu.  (2024)  Degradation of tris(1,3-dichloro-2-propyl) phosphate (TDCPP) by ultraviolet activated hydrogen peroxide: Mechanisms, pathways and toxicity assessments.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.155690]

7. He Mei, Jingcheng Huang, Guixin Wang, Kun Chen, Huili Wang, Xuedong Wang, Wenwei Wang.  (2024)  Development of a pH-responsive ratiometric fluoroprobe based on GSH-CuNCs-Ce3+ and N-CQDs for rapid/sensitive malathion detection in fruit juices.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106225]

8. Zhilong Xu, Jing He, Kai Yu, Yun Ju, Jing Zhao, Hong Zhang, Jie Jiang.  (2025)  Intervention of organophosphate esters in phospholipids hypochlorination at the air-water interface.  ENVIRONMENTAL POLLUTION,      [PMID:40294691] [10.1016/j.envpol.2025.126307]

9. Fan Zhang, Meng Jiao, Lihong Wang, Jun Ma, Tao Zhang.  (2025)  Surface Coordination and Radical Binding Induce Efficient Decomposition of Chlorinated Organophosphate Flame Retardants during Catalytic Ozonation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40560399] [10.1021/acs.est.5c01814]

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