4-Bromo-3,5-dimethylaniline - ≥98% , CAS No.59557-90-3

CAS: 59557-90-3 Cat. No.: B185456 Summenformel: C₈H₁₀BrN Molekulargewicht: 200.1 EG-Nummer: 893-009-1

GRADE & PURITY ≥98%

Synonyms

AKOS005133404 | AS-18438 | STK889370 | SB78466 | FT-0683270 | SCHEMBL525424 | MFCD07780648 | BCP21244 | (4-Bromo-3,5-dimethylphenyl)amine | Bromo-3,5-dimethylaniline | EN300-100804 | 4-Bromo-3,5-dimethyl-phenylamine | BBL025853 | Benzenamine, 4-?bromo-?3,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS005133404 | AS-18438 | STK889370 | SB78466 | FT-0683270 | SCHEMBL525424 | MFCD07780648 | BCP21244 | (4-Bromo-3,5-dimethylphenyl)amine | Bromo-3,5-dimethylaniline | EN300-100804 | 4-Bromo-3,5-dimethyl-phenylamine | BBL025853 | Benzenamine, 4-?bromo-?3,

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198076

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198076

Kanonisches Lächeln

CC1=CC(=CC(=C1Br)C)N

IUPAC Name

4-bromo-3,5-dimethylaniline

InChIKey

OGBPXDJLNYCSJH-UHFFFAOYSA-N

INCHI

1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3

Isomere SMILES

CC1=CC(=CC(=C1Br)C)N

Molekulargewicht

200.1

Reaxy-Rn

2082787

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 200.080 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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