4-Bromo-N-methylaniline - ≥97% , CAS No.6911-87-1

CAS: 6911-87-1 Cat. No.: B304406 Formula: C₇H₈BrN Peso molecolare: 186.05 Numero EC: 627-547-3

QUALITÀ & PUREZZA ≥97%

Synonyms

Benzenamine, 4-bromo-N-methyl- | A836358 | B4403 | p-Brom-N-methylanilin | SCHEMBL467157 | 4-Bromo-N-methylaniline, 97% | Benzenamine, 4-bromo-N-methyl-, radical ion(1+) (9CI) | AYVPVDWQZAAZCM-UHFFFAOYSA-N | 4-Bromo-N-methylaniline | 4-bromo-N-methyl-anil

Storage

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

Shipped In

Wet ice

Specifiche

Sinonimi

Benzenamine, 4-bromo-N-methyl- | A836358 | B4403 | p-Brom-N-methylanilin | SCHEMBL467157 | 4-Bromo-N-methylaniline, 97% | Benzenamine, 4-bromo-N-methyl-, radical ion(1+) (9CI) | AYVPVDWQZAAZCM-UHFFFAOYSA-N | 4-Bromo-N-methylaniline | 4-bromo-N-methyl-anil

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528760675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760675

Sorrisi canonici

CNC1=CC=C(C=C1)Br

IUPAC Name

4-bromo-N-methylaniline

InChIKey

AYVPVDWQZAAZCM-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3

Isomeri SMILES

CNC1=CC=C(C=C1)Br

Peso molecolare

186.05

Reaxy-Rn

2205847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205847&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• 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

• Sensibilità: Air sensitive;Light sensitive
• Indice di rifrazione: 1.61
• Punto di infiammabilità (°C): 99.2°C
• Punto di ebollizione (°C): 260 °C
• Punto di fusione (°C): 11 °C
• Peso molecolare: 186.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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