퍼플루오로데칸 - ≥97% , CAS No.307-59-5

CAS: 307-59-5 Cat. No.: P122377 분자식: C₁₂F₂₆ 분자량: 638.09 Beilstein Registry Number: 1811139 EC 번호: 206-204-8

등급 & 순도 ≥97%

Synonyms

FS-4444 | 퍼플루오로도데칸 | DTXSID30184726 | AKOS016015503 | C12F26 | SCHEMBL62622 | P1755 | 헥사코사플루오로도데칸 | 도데칸, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluoro- | EINECS 206-204-8 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,7,10,11,11,12,12,12-he

Storage

Room temperature

Shipped In

보통

사양

동의어

FS-4444 | 퍼플루오로도데칸 | DTXSID30184726 | AKOS016015503 | C12F26 | SCHEMBL62622 | P1755 | 헥사코사플루오로도데칸 | 도데칸, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluoro- | EINECS 206-204-8 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,7,10,11,11,12,12,12-he

사양 및 순도

≥97%

보관 조건

Room temperature

배송

보통

순수함

≥97%

이름과 식별자

Pubchem Sid

488185652

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185652

정식 스마일

C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluorododecane

InChIKey

WNZGTRLARPEMIG-UHFFFAOYSA-N

INCHI

1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38

이성체 SMILES

C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

분자량

638.09

Beilstein

1811139

Reaxy-Rn

1811139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 끓는점(°C): 178°C
• 녹는점(°C): 72-76°C
• 분자량: 638.090 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 9
• Exact Mass: 637.958 Da
• Monoisotopic Mass: 637.958 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 792.000
• 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