4-Bromo-2-furaldehyde - ≥97% , CAS No.21921-76-6

CAS: 21921-76-6 Cat. No.: B151893 분자식: C₅H₃BrO₂ 분자량: 174.98 EC 번호: 626-307-5

GRADE & PURITY ≥97%

Synonyms

MFCD00671504 | Z898215000 | 4-bromo-furan-2-carbaldehyde | 4-bromofuran-2-carbaldehyde | 4-Bromo-2-furaldehyde | 4-bromo-2-furancarboxyaldehyde | 4-bromo-furan-2-carboxaldehyde | 4-Bromofuran-2-carboxaldehyde | 2-Furancarboxaldehyde, 4-bromo- | 4-Bromo-2-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Building block for the synthesis of furanyl cyclobutenediones, potent G-protein coupled receptor antagonists.

Specifications

동의어

MFCD00671504 | Z898215000 | 4-bromo-furan-2-carbaldehyde | 4-bromofuran-2-carbaldehyde | 4-Bromo-2-furaldehyde | 4-bromo-2-furancarboxyaldehyde | 4-bromo-furan-2-carboxaldehyde | 4-Bromofuran-2-carboxaldehyde | 2-Furancarboxaldehyde, 4-bromo- | 4-Bromo-2-

사양 및 순도

≥97%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528760578
• 정식 스마일: C1=C(OC=C1Br)C=O
• IUPAC Name: 4-bromofuran-2-carbaldehyde
• InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
• 이성체 SMILES: C1=C(OC=C1Br)C=O
• WGK 독일: 3
• 분자량: 174.98
• Reaxy-Rn: 1280977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280977&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

• 감도: Heat sensitive;Air sensitive
• 발화점(°F): >230 °F
• 발화점(°C): >110 °C
• 녹는점(°C): 54-58°C
• 분자량: 174.980 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.932 Da
• Monoisotopic Mass: 173.932 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.400
• 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

참고 문헌

1. Wang Dongdong, Al-Mamun Mohammad, Gong Wanbing, Lv Yang, Chen Chun, Lin Yue, Wang Guozhong, Zhang Haimin, Zhao Huijun.  (2021)  Converting Co2+-impregnated g-C3N4 into N-doped CNTs-confined Co nanoparticles for efficient hydrogenation rearrangement reactions of furanic aldehydes.  Nano Research,  14  (8): (2846-2852).  [PMID:] [10.1007/s12274-021-3298-y]