4-Bromo-5-methoxy-2-methylaniline - ≥97% , CAS No.152626-77-2

CAS: 152626-77-2 Cat. No.: B728335 Formula: C₈H₁₀BrNO Peso molecolare: 216.07 PubChem CID: 15278592

GRADE & PURITY ≥97%

Synonyms

5-AMINO-2-BROMO-4-METHYLANISOLE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

5-AMINO-2-BROMO-4-METHYLANISOLE

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC1=CC(=C(C=C1N)OC)Br

IUPAC Name

4-bromo-5-methoxy-2-methylaniline

InChIKey

HCWSMYJWPZRXOD-UHFFFAOYSA-N

INCHI

1S/C8H10BrNO/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4H,10H2,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1N)OC)Br

CAS alternativo

152626-77-2

PubChem CID

15278592

Peso molecolare

216.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminotoluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 216.070 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.995 Da
• Monoisotopic Mass: 214.995 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• 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