Tri-n-hexyl phosphate - ≥90% , CAS No.2528-39-4

CAS: 2528-39-4 Cat. No.: T355403 분자식: C₁₈H₃₉O₄P 분자량: 350.48 EC 번호: 219-774-8 PubChem CID: 75666

GRADE & PURITY ≥90%

Synonyms

DTXSID1074597 | EINECS 219-774-8 | Trihexyl phosphate | SCHEMBL235364 | CAA52839 | tri-n-hexyl phosphate | HN844S3C6X | Phosphoric acid, trihexyl ester | SFENPMLASUEABX-UHFFFAOYSA-N | A935514 | AKOS005110998 | J-015909 | MFCD00015351 | TRIHEXYLPHOSPHATE |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID1074597 | EINECS 219-774-8 | Trihexyl phosphate | SCHEMBL235364 | CAA52839 | tri-n-hexyl phosphate | HN844S3C6X | Phosphoric acid, trihexyl ester | SFENPMLASUEABX-UHFFFAOYSA-N | A935514 | AKOS005110998 | J-015909 | MFCD00015351 | TRIHEXYLPHOSPHATE |

사양 및 순도

≥90%

보관 조건

Room temperature

배송

Normal

순수함

≥90%

이름과 식별자

• Pubchem Sid: 504754977
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754977
• 정식 스마일: CCCCCCOP(=O)(OCCCCCC)OCCCCCC
• IUPAC Name: trihexyl phosphate
• InChIKey: SFENPMLASUEABX-UHFFFAOYSA-N
• INCHI: 1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
• 이성체 SMILES: CCCCCCOP(=O)(OCCCCCC)OCCCCCC
• PubChem CID: 75666
• 분자량: 350.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 굴절률: n20D1.44 (Predicted)
• 끓는점(°C): ~354.1° C at 760 mmHg (Predicted)
• 녹는점(°C): 85.88° C (Predicted)
• 분자량: 350.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 350.259 Da
• Monoisotopic Mass: 350.259 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 241.000
• 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

참고 문헌

1. Mengjia Hu, Jingjing Xiao, Hongqing Wang, Chen Yao, Yaxin Wu, Zhihong Xiao, Changzhu Li.  (2024)  Uranium extraction by a bifunctional extractant dialkyl (2-(hydroxyamino)-2-oxoethyl) phosphonate.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.115137]