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

CAS: 930-27-8 Cat. No.: M158541 분자식: C₅H₆O 분자량: 82.1 Beilstein Registry Number: 17(5)1,330 EC 번호: 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

동의어

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

사양 및 순도

≥98%(GC), contains as stabilizer HQ

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488181871

Pubchem Sid Url

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

정식 스마일

CC1=COC=C1

IUPAC Name

3-methylfuran

InChIKey

KJRRQXYWFQKJIP-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC1=COC=C1

RTECS

LU2630000

분자량

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
    • 분류 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Heat Sensitive
• 굴절률: 1.43
• 발화점(°C): -21 °C
• 끓는점(°C): 66 °C
• 분자량: 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