3-Amino-4-fluorophenol - ≥98% , CAS No.62257-16-3

CAS: 62257-16-3 Cat. No.: A137308 分子式: C₆H₆FNO 分子量: 127.12 EC番号: 690-814-8

GRADE & PURITY ≥98%

Synonyms

Z1201624911 | EN300-117280 | F2108-0123 | PS-9171 | A8606 | AC-885 | AKOS005063864 | FT-0649778 | AM61583 | J-511614 | 3-Amino-4-fluorophenol | 3-amino-4-fluoro-phenol | VJCSFNNTQGRAKH-UHFFFAOYSA-N | SCHEMBL533939 | 2-Fluoro-5-hydroxyaniline | Phenol, 3-a

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

同義語

Z1201624911 | EN300-117280 | F2108-0123 | PS-9171 | A8606 | AC-885 | AKOS005063864 | FT-0649778 | AM61583 | J-511614 | 3-Amino-4-fluorophenol | 3-amino-4-fluoro-phenol | VJCSFNNTQGRAKH-UHFFFAOYSA-N | SCHEMBL533939 | 2-Fluoro-5-hydroxyaniline | Phenol, 3-a

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488198451

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488198451

カノニカル・スマイル

C1=CC(=C(C=C1O)N)F

IUPAC Name

3-amino-4-fluorophenol

InChIKey

VJCSFNNTQGRAKH-UHFFFAOYSA-N

INCHI

1S/C6H6FNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2

異性体SMILES

C1=CC(=C(C=C1O)N)F

分子量

127.12

Reaxy-Rn

13412609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13412609&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: m-Aminophenols Aniline and substituted anilines Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary amines Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - Aniline or substituted anilines - 4-fluorophenol - 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 - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 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

• 感度: light sensitive
• 分子量: 127.120 g/mol
• XLogP3: 1.100
• 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