2-Bromo-6-chloroaniline - ≥97% , CAS No.59772-49-5

CAS: 59772-49-5 Cat. No.: B589608 Molecular Weight: 206.47 EC Number: 641-590-5

GRADE & PURITY ≥97%

Synonyms

A832462 | MFCD11977383 | Benzenamine,2-bromo-6-chloro- | DTXSID20496800 | SY112287 | Aniline, 2-bromo-6-chloro | 2-Bromo-6-chloroaniline; 2-Bromo-6-chlorobenzenamine | EN300-105767 | TS-02957 | SCHEMBL9501878 | 6-bromo-2-chloroaniline | AMY18387 | AKOS005

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

A832462 | MFCD11977383 | Benzenamine, 2-bromo-6-chloro- | DTXSID20496800 | SY112287 | Aniline, 2-bromo-6-chloro | 2-Bromo-6-chloroaniline; 2-Bromo-6-chlorobenzenamine | EN300-105767 | TS-02957 | SCHEMBL9501878 | 6-bromo-2-chloroaniline | AMY18387 | AKOS005

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 508808355
• Canonical Smiles: C1=CC(=C(C(=C1)Br)N)Cl
• IUPAC Name: 2-bromo-6-chloroaniline
• InChIKey: BIMSFWCFKDVSNO-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrClN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C(=C1)Br)N)Cl
• Alternate CAS: 59772-49-5
• Molecular Weight: 206.47
• Reaxy-Rn: 2716589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716589&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: Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Primary amines Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Amine - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - 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

• Sensitivity: light sensitive
• Molecular Weight: 206.470 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 204.929 Da
• Monoisotopic Mass: 204.929 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