2-Amino-3-fluorophenol - ≥98% , CAS No.53981-23-0

CAS: 53981-23-0 Cat. No.: A185089 分子式: C₆H₆FNO 分子量: 127.12 EC番号: 812-841-8

GRADE & PURITY ≥98%

Synonyms

PS-9170 | 2-amino-3-fluorophenol | 2-amino-3-fluoro-phenol | Phenol, 2-amino-3-fluoro- | SCHEMBL101891 | DTXSID90382286 | EN300-78967 | QOZLOYKAFDTQNU-UHFFFAOYSA-N | FT-0679666 | AM20061202 | A829877 | SY101468 | J-507790 | 2-Amino-3-fluorophenol, Aldrich

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

PS-9170 | 2-amino-3-fluorophenol | 2-amino-3-fluoro-phenol | Phenol, 2-amino-3-fluoro- | SCHEMBL101891 | DTXSID90382286 | EN300-78967 | QOZLOYKAFDTQNU-UHFFFAOYSA-N | FT-0679666 | AM20061202 | A829877 | SY101468 | J-507790 | 2-Amino-3-fluorophenol, Aldrich

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 528756535
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528756535
• カノニカル・スマイル: C1=CC(=C(C(=C1)F)N)O
• IUPAC Name: 2-amino-3-fluorophenol
• InChIKey: QOZLOYKAFDTQNU-UHFFFAOYSA-N
• INCHI: 1S/C6H6FNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
• 異性体SMILES: C1=CC(=C(C(=C1)F)N)O
• 分子量: 127.12
• Reaxy-Rn: 5861687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5861687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: o-Aminophenols Aniline and substituted anilines Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - O-aminophenol - Aniline or substituted anilines - 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 position of the benzene 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

化学的性質と物理的性質

• 分子量: 127.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.043 Da
• Monoisotopic Mass: 127.043 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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