1H-Tridecafluorohexane - ≥97%(GC) , CAS No.355-37-3

CAS: 355-37-3 Cat. No.: H157279 Molecular Weight: 320.05 Beilstein Registry Number: 1(4)348 EC Number: 206-581-9

GRADE & PURITY ≥97%(GC)

Synonyms

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane | 1H-Perfluorohexane | D92604 | EINECS 206-581-9 | UNII-837H3TP46U | C6F13H | FT-0607909 | Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro- | 837H3TP46U | Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane | 1,1,1

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-Tridecafluorohexane | 1H-Perfluorohexane | D92604 | EINECS 206-581-9 | UNII-837H3TP46U | C6F13H | FT-0607909 | Hexane, 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-tridecafluoro- | 837H3TP46U | Trideca-1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-fluorohexane | 1, 1, 1

Specifications & Purity

≥97%(GC)

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488184000
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184000
• Canonical Smiles: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
• InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N
• INCHI: 1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
• Isomeric SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Molecular Weight: 320.05
• Beilstein: 1(4)348
• Reaxy-Rn: 1799000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1799000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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

• Refractive Index: <1.300
• Boil Point(°C): 70°C(lit.)
• Molecular Weight: 320.050 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 319.987 Da
• Monoisotopic Mass: 319.987 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 323.000
• 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

1. Liang Hong, Jianman Wang, Yi Zhou, Guofu Shang, Tao Guo, Hailong Tang, Jiangmin Li, Yali Luo, Xiangyu Zeng, Zhu Zeng, Zuquan Hu.  (2023)  Orthogonal Optimization, Characterization, and In Vitro Anticancer Activity Evaluation of a Hydrogen Peroxide-Responsive and Oxygen-Reserving Nanoemulsion for Hypoxic Tumor Photodynamic Therapy.  Cancers,  15  (5): (1576).  [PMID:36900370] [10.3390/cancers15051576]

2. Zunchun Wu, Ruhong Li, Shuoqing Zhang, Ling lv, Tao Deng, Hao Zhang, Ruixin Zhang, Jiangjiang Liu, Shouhong Ding, Liwu Fan, Lixin Chen, Xiulin Fan.  (2022)  Deciphering and modulating energetics of solvation structure enables aggressive high-voltage chemistry of Li metal batteries.  Chem,      [PMID:] [10.1016/j.chempr.2022.10.027]