3-Bromo-2-methylaniline - ≥98% , CAS No.55289-36-6

CAS: 55289-36-6 Cat. No.: B113778 Fórmula: C₇H₈BrN Peso molecular: 186.05 Beilstein Registry Number: 12(4)1806 Número EC: 259-568-5

GRADE & PURITY ≥98%

Synonyms

HY-50097 | F0001-1450 | VM496N698A | MFCD00051579 | 3-Bromo-o-toluidine | 2-methyl-3-bromo-aniline | AKOS005133613 | AM20060328 | A19642 | EN300-66138 | Z1037334720 | SCHEMBL147057 | SY003823 | (Z)-N-[(pyridin-4-yl)methylidene]hydroxylamine | 3-bromo-2-me

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

HY-50097 | F0001-1450 | VM496N698A | MFCD00051579 | 3-Bromo-o-toluidine | 2-methyl-3-bromo-aniline | AKOS005133613 | AM20060328 | A19642 | EN300-66138 | Z1037334720 | SCHEMBL147057 | SY003823 | (Z)-N-[(pyridin-4-yl)methylidene]hydroxylamine | 3-bromo-2-me

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488187759

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187759

Sonrisas canónicas

CC1=C(C=CC=C1Br)N

IUPAC Name

3-bromo-2-methylaniline

InChIKey

IILVSKMKMOJHMA-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

Isómeros SMILES

CC1=C(C=CC=C1Br)N

WGK Alemania

3

Peso molecular

186.05

Beilstein

12(4)1806

Reaxy-Rn

2354213

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2354213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.Air sensitive
• Índice de refracción: 1.619
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 248°C
• Peso molecular: 186.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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

Preguntas frecuentes

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

The CAS Number is 55289-36-6, the molecular formula is C7H8BrN, and the molecular weight is 186.05 g/mol. InChIKey IILVSKMKMOJHMA-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

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

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.