4-Bromo-2,5-dimethylaniline - ≥96% , CAS No.30273-40-6

CAS: 30273-40-6 Cat. No.: B183536 Formule: C₈H₁₀BrN Poids moléculaire: 200.08 Numéro CE: 110-565-6

GRADE & PURITY ≥96%

Synonyms

(4-Bromo-2,5-dimethylphenyl)amine | AMY28036 | BENZENAMINE, 4-BROMO-2,5-DIMETHYL- | FT-0683271 | AE-562/43287071 | AKOS005146844 | EN300-103012 | 2-amino-5-bromo-p-xylene | 4-bromo-2,5-dimethylbenzenamine | SCHEMBL272760 | 4-bromo-2,5-xylidine | SY274141

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

(4-Bromo-2,5-dimethylphenyl)amine | AMY28036 | BENZENAMINE, 4-BROMO-2,5-DIMETHYL- | FT-0683271 | AE-562/43287071 | AKOS005146844 | EN300-103012 | 2-amino-5-bromo-p-xylene | 4-bromo-2,5-dimethylbenzenamine | SCHEMBL272760 | 4-bromo-2,5-xylidine | SY274141

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

488196263

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196263

Sourires canoniques

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

IUPAC Name

4-bromo-2,5-dimethylaniline

InChIKey

CXPJJDQQLXEYPM-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

Poids moléculaire

200.08

Reaxy-Rn

2354741

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2354741&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-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
• Description: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 258.9°C at 760 mmHg
• Poids moléculaire: 200.080 g/mol
• XLogP3: 2.700
• 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: 116.000
• 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