2-Bromo-4-chloro-6-fluoroaniline - ≥98%(GC) , CAS No.195191-47-0

CAS: 195191-47-0 Cat. No.: B152617 Molecular Weight: 224.46 EC Number: 606-332-8

GRADE & PURITY ≥98%(GC)

Synonyms

Benzenamine, 2-bromo-4-chloro-6-fluoro- | A4287 | AKOS005257539 | SY050610 | 2-Bromo-4-chloro-6-fluoroaniline, 98% | 2-bromo-4-chloro-6-fluorobenzenamine | InChI=1/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H | 2-Bromo-4-chloro-6-fluoroaniline | GS-3637 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzenamine, 2-bromo-4-chloro-6-fluoro- | A4287 | AKOS005257539 | SY050610 | 2-Bromo-4-chloro-6-fluoroaniline, 98% | 2-bromo-4-chloro-6-fluorobenzenamine | InChI=1/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H, 10H | 2-Bromo-4-chloro-6-fluoroaniline | GS-3637 |

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488192780
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192780
• Canonical Smiles: C1=C(C=C(C(=C1F)N)Br)Cl
• IUPAC Name: 2-bromo-4-chloro-6-fluoroaniline
• InChIKey: HBHBARSMRVAINH-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
• Isomeric SMILES: C1=C(C=C(C(=C1F)N)Br)Cl
• WGK Germany: 3
• Molecular Weight: 224.46
• Reaxy-Rn: 7805424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7805424&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-bromoanilines
• Alternative Parents: Fluorobenzenes Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Melt Point(°C): 42 °C
• Molecular Weight: 224.460 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.92 Da
• Monoisotopic Mass: 222.92 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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