2-Propylfuran - ≥98%(GC) , CAS No.4229-91-8

CAS: 4229-91-8 Cat. No.: P160277 분자식: C₇H₁₀O 분자량: 110.16 EC 번호: 224-182-8 PubChem CID: 77907

등급 & 순도 ≥98%(GC)

Synonyms

NSC 35553 | 2-n-PROPYL FURAN | CPLJMYOQYRCCBY-UHFFFAOYSA- | AI3-26552 | EINECS 224-182-8 | D92136 | MFCD00047070 | SCHEMBL414949 | alpha-Propylfuran | NSC35553 | NSC-35553 | AKOS025396850 | Q63392388 | DTXSID00195122 | InChI=1/C7H10O/c1-2-4-7-5-3-6-8-7/h3

Storage

Room temperature

Shipped In

Normal

사양

동의어

NSC 35553 | 2-n-PROPYL FURAN | CPLJMYOQYRCCBY-UHFFFAOYSA- | AI3-26552 | EINECS 224-182-8 | D92136 | MFCD00047070 | SCHEMBL414949 | alpha-Propylfuran | NSC35553 | NSC-35553 | AKOS025396850 | Q63392388 | DTXSID00195122 | InChI=1/C7H10O/c1-2-4-7-5-3-6-8-7/h3

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504755224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755224

정식 스마일

CCCC1=CC=CO1

IUPAC Name

2-propylfuran

InChIKey

CPLJMYOQYRCCBY-UHFFFAOYSA-N

INCHI

1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

이성체 SMILES

CCCC1=CC=CO1

PubChem CID

77907

UN 번호

1993

포장 그룹

III

분자량

110.16

Reaxy-Rn

105752

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

• 굴절률: 1.44
• 발화점(°F): 75°F
• 발화점(°C): 24°C
• 끓는점(°C): 115 °C
• 분자량: 110.150 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.400
• 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