2-Methyltetrahydrofuran - anhydrous, ≥99%, Inhibitor-free , CAS No.96-47-9

CAS: 96-47-9 Cat. No.: M298963 분자식: C₅H₁₀O 분자량: 86.13 Beilstein Registry Number: 102448 EC 번호: 202-507-4

등급 & 순도 Anhydrous Grade, ≥99%, Inhibitor-free

Synonyms

5-17-01-00078 (Beilstein Handbook Reference) | Furan, tetrahydromethyl- | NCGC00090914-01 | tetrahydromethylfuran | 2-METHYLTETRAHYDROFURAN [MI] | 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm | CCRIS 8717 | Methyl tetrahydrofurane | EIN

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

5-17-01-00078 (Beilstein Handbook Reference) | Furan, tetrahydromethyl- | NCGC00090914-01 | tetrahydromethylfuran | 2-METHYLTETRAHYDROFURAN [MI] | 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm | CCRIS 8717 | Methyl tetrahydrofurane | EIN

사양 및 순도

anhydrous, ≥99%, Inhibitor-free

보관 조건

Room temperature

배송

FedEx DG Service

등급

Anhydrous Grade

순수함

≥99%

이름과 식별자

Pubchem Sid

504751297

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751297

정식 스마일

CC1CCCO1

IUPAC Name

2-methyloxolane

InChIKey

JWUJQDFVADABEY-UHFFFAOYSA-N

INCHI

1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

이성체 SMILES

CC1CCCO1

WGK 독일

2

RTECS

LU2800000

UN 번호

2536

포장 그룹

II

분자량

86.13

Beilstein

102448

Reaxy-Rn

102448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102448&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

관련 대상(비인간)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.4025
• 발화점(°F): 14 °F
• 발화점(°C): -11℃
• 끓는점(°C): 80.2°C
• 분자량: 86.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• 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