3-Methylfuran - ≥98%(GC), contains as stabilizer HQ , CAS No.930-27-8

CAS: 930-27-8 Cat. No.: M158541 分子式: C₅H₆O 分子量: 82.1 Beilstein Registry Number: 17(5)1,330 EC番号: 618-895-7

GRADE & PURITY ≥98%(GC), contains as stabilizer HQ

Synonyms

CHEBI:172946 | AKOS005255084 | 3-Methylfuran 100 microg/mL in Methanol | FT-0671790 | 3-Methylfuran-methyl-D3 | 3-methyl furan | Furan, 3-methyl- | M0939 | FT-0616160 | GS-0656 | 3-METHYLFURAN | 3-methyl-furan | 3-methylfuran (stabilized with hq) | DTXSID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

CHEBI:172946 | AKOS005255084 | 3-Methylfuran 100 microg/mL in Methanol | FT-0671790 | 3-Methylfuran-methyl-D3 | 3-methyl furan | Furan, 3-methyl- | M0939 | FT-0616160 | GS-0656 | 3-METHYLFURAN | 3-methyl-furan | 3-methylfuran (stabilized with hq) | DTXSID

仕様と純度

≥98%(GC), contains as stabilizer HQ

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

488181871

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181871

カノニカル・スマイル

CC1=COC=C1

IUPAC Name

3-methylfuran

InChIKey

KJRRQXYWFQKJIP-UHFFFAOYSA-N

INCHI

1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

異性体SMILES

CC1=COC=C1

RTECS

LU2630000

分子量

82.1

Beilstein

17(5)1,330

Reaxy-Rn

104217

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104217&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

化学的性質と物理的性質

• 感度: Heat Sensitive
• 屈折率: 1.43
• 引火点（°C）: -21 °C
• 沸点（°C）: 66 °C
• 分子量: 82.100 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.0419 Da
• Monoisotopic Mass: 82.0419 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• 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