2-Methylfuran - ≥98% , CAS No.534-22-5

CAS: 534-22-5 Cat. No.: M110932 분자식: C₅H₆O 분자량: 82.1 Beilstein Registry Number: 103733 EC 번호: 208-594-5

등급 & 순도 ≥98%

Synonyms

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

개요

2-Methylfuran, a substituted furan, is considered as a potential alternative fuel for internal combustion engines. Its microwave spectrum has been analyzed. The synthesis of 2-MF from carbon sources under different reaction conditions have been reported.

2-Methylfuran may be used in the synthesis of exo-cis-1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride via Diels-Alder reaction with maleic anhydride.

사양

동의어

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

504752006

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752006

정식 스마일

CC1=CC=CO1

IUPAC Name

2-methylfuran

InChIKey

VQKFNUFAXTZWDK-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC1=CC=CO1

WGK 독일

1

RTECS

LU2625000

UN 번호

2301

포장 그룹

II

분자량

82.1

Beilstein

103733

Reaxy-Rn

103733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103733&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

관련 대상(인간)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO and Methanol
• 감도: Light & air sensitive.
• 굴절률: 1.4332
• 발화점(°F): -26℃
• 발화점(°C): -26℃
• 끓는점(°C): 63-66°C
• 녹는점(°C): -88.68°C
• 분자량: 82.100 g/mol
• XLogP3: 1.800
• 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