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

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

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189898
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C(=C1)O)Br)N
• Molecular Weight: 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
    • 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: 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
• 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: light sensitive
• Molecular Weight: 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