2-Bromo-5-nitroaniline - ≥97% , CAS No.10403-47-1

CAS: 10403-47-1 Cat. No.: B137959 Formula: BrC₆H₃(NO₂)NH₂ Molecular Weight: 217.02 Beilstein Registry Number: 12(3)1674 EC Number: 233-874-9

GRADE & PURITY ≥97%

Synonyms

2-bromo-5-nitrophenylamine | 2-Bromo-5-nitro-phenylamine | AE-641/00135024 | DTXSID50146225 | N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine;phosphoric acid | W-108828 | SCHEMBL398996 | 2-Bromo-5-nitroaniline | 2-bromo-5-nitro-aniline | AC-25109 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-bromo-5-nitrophenylamine | 2-Bromo-5-nitro-phenylamine | AE-641/00135024 | DTXSID50146225 | N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine;phosphoric acid | W-108828 | SCHEMBL398996 | 2-Bromo-5-nitroaniline | 2-bromo-5-nitro-aniline | AC-25109 |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488186110
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186110
• Canonical Smiles: C1=CC(=C(C=C1[N+](=O)[O-])N)Br
• IUPAC Name: 2-bromo-5-nitroaniline
• InChIKey: BAAUCXCLMDAZEL-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Br
• WGK Germany: 3
• Molecular Weight: 217.02
• Beilstein: 12(3)1674
• Reaxy-Rn: 2803492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803492&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds 2-bromoanilines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: slightly soluble in water
• Melt Point(°C): 138-142°C
• Molecular Weight: 217.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.953 Da
• Monoisotopic Mass: 215.953 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10403-47-1, the molecular formula is C6H5BrN2O2, and the molecular weight is 217.02 g/mol. InChIKey BAAUCXCLMDAZEL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.