3-amino-2-bromophenol - ≥97% , CAS No.100367-36-0

CAS: 100367-36-0 Cat. No.: A171600 Fórmula: C₆H₆BrNO Peso molecular: 188.024 Número EC: 961-931-4

GRADE & PURITY ≥97%

Synonyms

Z1255432102 | 3-Amino-2-bromophenol | 3-amino-2-bromo-phenol | DS-16554 | EN300-245722 | DTXSID80332614 | SY042380 | MFCD11846453 | Phenol, 3-amino-2-bromo- | AB8016 | FT-0703092 | ZSNIVQDQECTJAJ-UHFFFAOYSA-N | AKOS022182843 | amino bromophenol | A897467

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Z1255432102 | 3-Amino-2-bromophenol | 3-amino-2-bromo-phenol | DS-16554 | EN300-245722 | DTXSID80332614 | SY042380 | MFCD11846453 | Phenol, 3-amino-2-bromo- | AB8016 | FT-0703092 | ZSNIVQDQECTJAJ-UHFFFAOYSA-N | AKOS022182843 | amino bromophenol | A897467

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488189898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189898

Sonrisas canónicas

C1=CC(=C(C(=C1)O)Br)N

IUPAC Name

3-amino-2-bromophenol

InChIKey

ZSNIVQDQECTJAJ-UHFFFAOYSA-N

INCHI

1S/C6H6BrNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2

Isómeros SMILES

C1=CC(=C(C(=C1)O)Br)N

Peso molecular

188.024

Reaxy-Rn

4966895

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4966895&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-bromoanilines
• Alternative Parents: m-Aminophenols O-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - 2-bromoaniline - 2-halophenol - 2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 188.020 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 46.300 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