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

CAS: 100367-36-0 Cat. No.: A171600 Formule: C₆H₆BrNO Poids moléculaire: 188.024 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488189898

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 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