4-Fluoroaniline - ≥99%, used for Used for the synthesis of new fluorine-containing drugs, pesticides and dyes, etc. various applications , CAS No.371-40-4

CAS: 371-40-4 Cat. No.: F103204 Formula: C₆H₆FN Peso molecolare: 111.12 Beilstein Registry Number: 742030 Numero EC: 206-735-5

QUALITÀ & PUREZZA ≥99%

Synonyms

AI3-52386 | AKOS000119114 | para-Fluoroaniline | 4-fluoranylaniline | UN 2944 | (4-fluorophenyl)amine | (4-fluorophenyl)-amine | 4-fluoroanilin | Fluoroaniline, p- | 1,4-fluorobenzenamine | 4-FLUOROANILINE | 4-fluoro-aniline | CHEBI:28546 | F2190-0427 | P

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Panoramica

Intermediate for the production of Flumazenil

Specifiche

Sinonimi

AI3-52386 | AKOS000119114 | para-Fluoroaniline | 4-fluoranylaniline | UN 2944 | (4-fluorophenyl)amine | (4-fluorophenyl)-amine | 4-fluoroanilin | Fluoroaniline, p- | 1,4-fluorobenzenamine | 4-FLUOROANILINE | 4-fluoro-aniline | CHEBI:28546 | F2190-0427 | P

Specifiche e purezza

≥99%

Applicazione

Used for the synthesis of new fluorine-containing drugs, pesticides and dyes, etc.

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508809416

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809416

Sorrisi canonici

C1=CC(=CC=C1N)F

IUPAC Name

4-fluoroaniline

InChIKey

KRZCOLNOCZKSDF-UHFFFAOYSA-N

INCHI

1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Isomeri SMILES

C1=CC(=CC=C1N)F

WGK Germania

1

RTECS

BY1575000

Numero UN

2941

Gruppo di imballaggio

III

Peso molecolare

111.12

Beilstein

742030

Reaxy-Rn

742030

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: primary arylamine - fluoroaniline

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

Obiettivi associati (non umani)

Oryctolagus cuniculus (11301 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water. Soluble in chloroform and methanol.
• Sensibilità: Air sensitive
• Indice di rifrazione: 1.539
• Punto di infiammabilità (°F): 165.2 °F
• Punto di infiammabilità (°C): 74 °C
• Punto di ebollizione (°C): 187°C
• Punto di fusione (°C): -1.9°C
• Peso molecolare: 111.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.048 Da
• Monoisotopic Mass: 111.048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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