2-Bromo-5-fluoroaniline - ≥98% , CAS No.1003-99-2

CAS: 1003-99-2 Cat. No.: B104223 Formula: C₆H₅BrFN Peso molecolare: 190.01 Numero EC: 600-091-2

GRADE & PURITY ≥98%

Synonyms

AKOS005064046 | 2-Bromo-5-fluoro aniline | SCHEMBL109237 | B2163 | DTXSID50378367 | MFCD00070750 | Q-100018 | PS-8400 | FT-0611482 | 2-Bromo-5-fluoroaniline | 2-bromo-5-fluoro-aniline | EN300-106061 | CL8389 | FWTXFEKVHSFTDQ-UHFFFAOYSA-N | 2-bromo-5-fluor

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

application：

2-Bromo-5-fluoroaniline may be used to synthesize:

orthobromothiobenzanilide of 5-fluoronitrobenzothiazole

2-bromo-5-fluorobenzo[14C]nitrile

[3-14C]-5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole

2-bromo-5-fluoro-phenyl)-(2-methoxy-6-pentadecyl-benzyl)amine

Specifications

Sinonimi

AKOS005064046 | 2-Bromo-5-fluoro aniline | SCHEMBL109237 | B2163 | DTXSID50378367 | MFCD00070750 | Q-100018 | PS-8400 | FT-0611482 | 2-Bromo-5-fluoroaniline | 2-bromo-5-fluoro-aniline | EN300-106061 | CL8389 | FWTXFEKVHSFTDQ-UHFFFAOYSA-N | 2-bromo-5-fluor

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488193462

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193462

Sorrisi canonici

C1=CC(=C(C=C1F)N)Br

IUPAC Name

2-bromo-5-fluoroaniline

InChIKey

FWTXFEKVHSFTDQ-UHFFFAOYSA-N

INCHI

1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2

Isomeri SMILES

C1=CC(=C(C=C1F)N)Br

WGK Germania

3

Peso molecolare

190.01

Reaxy-Rn

2802550

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802550&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: 2-bromoanilines
• Alternative Parents: Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Amine - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 154°C/23mmHg
• Punto di fusione (°C): 43-47°C
• Peso molecolare: 190.010 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.959 Da
• Monoisotopic Mass: 188.959 Da
• Topological Polar Surface Area: 26.000 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1003-99-2, the molecular formula is C6H5BrFN, and the molecular weight is 190.01 g/mol. InChIKey FWTXFEKVHSFTDQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.