Ethyl 2-Furoate - ≥98% , CAS No.1335-40-6

CAS: 1335-40-6 Cat. No.: E302418 분자식: C₇H₈O₃ 분자량: 140.14

등급 & 순도 ≥98%

Synonyms

F0001-1621 | 2-Furancarboxylic Acid Ethyl Ester | BRN 0002653 | Ethyl-2-furoate | Ethyl2-furoate | Z54848724 | NSC 2304 | Ethyl 2-furylcarboxylate | MFCD00003237 | Ethyl furoate | F0098 | SCHEMBL859237 | A833268 | ETHYL 2-FUROATE | Ethyl 2-furoate, 99% |

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

F0001-1621 | 2-Furancarboxylic Acid Ethyl Ester | BRN 0002653 | Ethyl-2-furoate | Ethyl2-furoate | Z54848724 | NSC 2304 | Ethyl 2-furylcarboxylate | MFCD00003237 | Ethyl furoate | F0098 | SCHEMBL859237 | A833268 | ETHYL 2-FUROATE | Ethyl 2-furoate, 99% |

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504752228

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752228

정식 스마일

CCOC(=O)C1=CC=CO1

IUPAC Name

ethyl furan-2-carboxylate

InChIKey

NHXSTXWKZVAVOQ-UHFFFAOYSA-N

INCHI

1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

이성체 SMILES

CCOC(=O)C1=CC=CO1

분자량

140.14

Reaxy-Rn

2653

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): 70.6ºC
• 끓는점(°C): 196.8ºC
• 녹는점(°C): 32-37ºC
• 분자량: 140.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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