2-Bromo-6-fluoro-4-methylaniline - ≥97% , CAS No.18349-09-2

CAS: 18349-09-2 Cat. No.: B587794 Formula: C₇H₇BrFN Peso molecolare: 204.04 Numero EC: 605-996-6

QUALITÀ & PUREZZA ≥97%

Synonyms

2-Bromo-6-fluoro-4-methyl-phenylamine | 2-bromo-6-fluoro-4-methylbenzeneamine

Storage

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

Shipped In

Wet ice

Specifiche

Sinonimi

2-Bromo-6-fluoro-4-methyl-phenylamine | 2-bromo-6-fluoro-4-methylbenzeneamine

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC1=CC(=C(C(=C1)Br)N)F

IUPAC Name

2-bromo-6-fluoro-4-methylaniline

InChIKey

QVECFWRRZNGQDO-UHFFFAOYSA-N

INCHI

1S/C7H7BrFN/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3

Isomeri SMILES

CC1=CC(=C(C(=C1)Br)N)F

Peso molecolare

204.04

Reaxy-Rn

2639227

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639227&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: 2-bromoanilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Primary amines Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organobromide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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: Moisture sensitive；light sensitive
• Peso molecolare: 204.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.975 Da
• Monoisotopic Mass: 202.975 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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