2,3-ジメチルフラン - ≥98% , CAS No.14920-89-9

CAS: 14920-89-9 Cat. No.: D154960 分子式: C₆H₈O 分子量: 96.13 Beilstein Registry Number: 17(3/4)287 EC番号: 626-651-6

GRADE & PURITY ≥98%

Synonyms

DTXSID301027759 | 2,3-Dimethylfuran | 2,3-Dimethyl-furan | J-640029 | MFCD00153893 | 2,3-Dimethylfuran, 99% | EINECS 249-235-2 | Furan, dimethyl- | FT-0609713 | InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H | STL557088 | Furan, 2,3-dimethyl- | GEO-01190 | F30

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

製品の説明

2,3-ジメチルフランはメチル置換フランである。2,3-ジメチルフランとNO3ラジカルとの反応について相対速度法で求めた気相速度定数は(5.83±0.46)×10-11[1]、OHラジカルとの反応は(12.6±0.4)×10-11（単位：cm3分子-1 s-1）[2]であった。

Specifications

同義語

DTXSID301027759 | 2,3-Dimethylfuran | 2,3-Dimethyl-furan | J-640029 | MFCD00153893 | 2,3-Dimethylfuran, 99% | EINECS 249-235-2 | Furan, dimethyl- | FT-0609713 | InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H | STL557088 | Furan, 2,3-dimethyl- | GEO-01190 | F30

仕様と純度

≥98%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

528755304

カノニカル・スマイル

CC1=C(OC=C1)C

IUPAC Name

2,3-dimethylfuran

InChIKey

FJSKXQVRKZTKSI-UHFFFAOYSA-N

INCHI

1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3

異性体SMILES

CC1=C(OC=C1)C

WGKドイツ

3

分子量

96.13

Beilstein

17(3/4)287

Reaxy-Rn

104572

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 感度: Heat sensitive
• 屈折率: 1.44
• 引火点（°F）: 30.2 °F
• 引火点（°C）: -1°C(lit.)
• 沸点（°C）: 42°/115mm
• 分子量: 96.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.200
• 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