3-Bromo-4-methoxy-5-methylaniline - ≥98% , CAS No.1215205-12-1

CAS: 1215205-12-1 Cat. No.: B180191 Formula: C₈H₁₀BrNO Peso molecolare: 216.1 PubChem CID: 53216224

GRADE & PURITY ≥98%

Synonyms

PS-11692 | AKOS015834601 | SCHEMBL14300196 | 3-BROMO-4-METHOXY-5-METHYLANILINE | AS-813/43502054 | MFCD16618926 | 1215266-59-3 | 1215205-12-1 | F87089 | Benzenamine, 3-bromo-4-methoxy-5-methyl-, hydrochloride (1:1) | DTXSID10681480 | A891648

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

PS-11692 | AKOS015834601 | SCHEMBL14300196 | 3-BROMO-4-METHOXY-5-METHYLANILINE | AS-813/43502054 | MFCD16618926 | 1215266-59-3 | 1215205-12-1 | F87089 | Benzenamine, 3-bromo-4-methoxy-5-methyl-, hydrochloride (1:1) | DTXSID10681480 | A891648

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC1=CC(=CC(=C1OC)Br)N

IUPAC Name

3-bromo-4-methoxy-5-methylaniline

InChIKey

HLQONICLKZVZRN-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=CC(=CC(=C1OC)Br)N

PubChem CID

53216224

Peso molecolare

216.1

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 Organopnictogen compounds 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 - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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

Meccanismi d'azione

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

Domande frequenti

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.

How is this product shipped?

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

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

The CAS Number is 1215205-12-1, the molecular formula is C8H10BrNO, and the molecular weight is 216.1 g/mol. InChIKey HLQONICLKZVZRN-UHFFFAOYSA-N.

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.