2,5-Dibromoaniline - ≥98%(GC) , CAS No.3638-73-1

CAS: 3638-73-1 Cat. No.: D138742 Molecular Weight: 250.92 Beilstein Registry Number: 12659 EC Number: 222-865-5

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-34147 | DTXSID80189908 | EINECS 222-865-5 | FT-0610275 | InChI=1/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H | PS-3006 | 2,5-dibromophenylamine | 2,5-dibromo-phenylamine | 2,5-Dibromoaniline | A823221 | NCIOpen2_005150 | STL558207 | UNII-C54DZ85Z8H | 2,5

Storage

Room temperature,Argon charged

Shipped In

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Overview

2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline.It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.

Specifications

Synonyms

EN300-34147 | DTXSID80189908 | EINECS 222-865-5 | FT-0610275 | InChI=1/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H, 9H | PS-3006 | 2, 5-dibromophenylamine | 2, 5-dibromo-phenylamine | 2, 5-Dibromoaniline | A823221 | NCIOpen2_005150 | STL558207 | UNII-C54DZ85Z8H | 2, 5

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185385
• Canonical Smiles: C1=CC(=C(C=C1Br)N)Br
• IUPAC Name: 2,5-dibromoaniline
• InChIKey: WRTAZRGRFBCKBU-UHFFFAOYSA-N
• INCHI: 1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C=C1Br)N)Br
• WGK Germany: 3
• Molecular Weight: 250.92
• Beilstein: 12659
• Reaxy-Rn: 1817548
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817548&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: Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - 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,Ethanol
• Sensitivity: air sensitive
• Flash Point(°F): 230℉
• Flash Point(°C): >110℃
• Melt Point(°C): 54-58℃
• Molecular Weight: 250.920 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 250.877 Da
• Monoisotopic Mass: 248.879 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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

References

1. Fouad Hatem, Yang Guiying, El-Sayed Ahmed A., Mao Guofeng, Khalafallah Diab, Saad Mahmoud, Ga’al Hassan, Ibrahim Ezzeldin, Mo Jianchu.  (2021)  Green synthesis of AgNP–ligand complexes and their toxicological effects on Nilaparvata lugens.  JOURNAL OF NANOBIOTECHNOLOGY,  19  (1): (1-17).  [PMID:34645452] [10.1186/s12951-021-01068-z]

2. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation.  TALANTA,      [PMID:33379116] [10.1016/j.talanta.2020.121914]

3. Shuo-Wen Gao, Li-Hua Chen, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2024)  Sacrificial template synthesis of hollow sulfonate group functionalized microporous organic network for efficient solid phase extraction of sulfonamide antibiotics from milk and honey samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38547678] [10.1016/j.chroma.2024.464844]

4. Xin-Qiao He, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Engineering of amino microporous organic network on zeolitic imidazolate framework-67 derived nitrogen-doped carbon for efficient magnetic extraction of plant growth regulators.  TALANTA,      [PMID:33379085] [10.1016/j.talanta.2020.121876]