1,2-dibromo-hexafluoro-propane - ≥99% , CAS No.661-95-0

CAS: 661-95-0 Cat. No.: D292576 분자식: C₃Br₂F₆ 분자량: 309.831 EC 번호: 211-550-8

GRADE & PURITY ≥99%

Synonyms

BBL101724 | AKOS007930346 | DTXSID60880143 | MS-20271 | BRN 1704033 | Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro- | A835359 | MFCD00013568 | STL555521 | ()-1,2-Dibromohexafluoropropane | EC 211-550-8 | Hexafluoropropene Dibromide | 1,2-Dibromohexafluorop

Storage

Room temperature

Specifications

동의어

BBL101724 | AKOS007930346 | DTXSID60880143 | MS-20271 | BRN 1704033 | Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro- | A835359 | MFCD00013568 | STL555521 | ()-1,2-Dibromohexafluoropropane | EC 211-550-8 | Hexafluoropropene Dibromide | 1,2-Dibromohexafluorop

사양 및 순도

≥99%

보관 조건

Room temperature

순수함

≥99%

이름과 식별자

정식 스마일

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

IUPAC Name

1,2-dibromo-1,1,2,3,3,3-hexafluoropropane

InChIKey

KTULQNFKNLFOHL-UHFFFAOYSA-N

INCHI

1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11

이성체 SMILES

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

분자량

309.831

Reaxy-Rn

1704033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704033&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: Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - 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): 73°
• 녹는점(°C): -95°
• 분자량: 309.830 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 309.825 Da
• Monoisotopic Mass: 307.827 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1