3,5-Dibromo-1,2-phenylenediamine Monohydrochloride [Sensitive reagent for the determination of Se by GC-ECD] - ≥99%(T) , CAS No.75568-11-5

CAS: 75568-11-5 Cat. No.: D154953 Molecular Weight: 302.39 EC Number: 633-286-6 PubChem CID: 2724285

GRADE & PURITY ≥99%(T)

Synonyms

3,5-Dibromo-1,2-phenylenediamine Monohydrochloride | 3,5-dibromobenzene-1,2-diamineHydrochloride | A838451 | 1,2-Diamino-3,5-dibromobenzene Monohydrochloride | 3,5-DIBROMO-1,2-PHENYLENEDIAMINE hydrochloride | T71305 | AKOS025295719 | 3,5-Dibromobenzene-1,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3, 5-Dibromo-1, 2-phenylenediamine Monohydrochloride | 3, 5-dibromobenzene-1, 2-diamineHydrochloride | A838451 | 1, 2-Diamino-3, 5-dibromobenzene Monohydrochloride | 3, 5-DIBROMO-1, 2-PHENYLENEDIAMINE hydrochloride | T71305 | AKOS025295719 | 3, 5-Dibromobenzene-1,

Specifications & Purity

≥99%(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%(T)

Names and Identifiers

• Canonical Smiles: C1=C(C=C(C(=C1N)N)Br)Br.Cl
• IUPAC Name: 3,5-dibromobenzene-1,2-diamine;hydrochloride
• InChIKey: QOZDVKFQMGARCC-UHFFFAOYSA-N
• INCHI: 1S/C6H6Br2N2.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H,9-10H2;1H
• Isomeric SMILES: C1=C(C=C(C(=C1N)N)Br)Br.Cl
• PubChem CID: 2724285
• Molecular Weight: 302.39

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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Molecular Weight: 302.390 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 301.864 Da
• Monoisotopic Mass: 299.866 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 11
• 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: 2

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