3-Bromo-5-methylaniline - ≥98% , CAS No.74586-53-1

CAS: 74586-53-1 Cat. No.: B137355 Formule: C₇H₈BrN Poids moléculaire: 186.05 Numéro CE: 277-932-1

GRADE & PURITY ≥98%

Synonyms

FT-0686996 | Benzenamine, 3-bromo-5-methyl- | 3-Methyl-5-bromoaniline | J-512033 | B6015 | CL8415 | MFCD11845553 | 3-Bromo-5-methylbenzenamine | 3-Bromo-5-methyl-phenylamine | 3-Amino-5-bromotoluene | (3-Bromo-5-methylphenyl)amine | SCHEMBL429677 | PS-510

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

3-Bromo-5-methylaniline is used as pharmaceutical intermediates and chemical intermediate.

Specifications

Synonymes

FT-0686996 | Benzenamine, 3-bromo-5-methyl- | 3-Methyl-5-bromoaniline | J-512033 | B6015 | CL8415 | MFCD11845553 | 3-Bromo-5-methylbenzenamine | 3-Bromo-5-methyl-phenylamine | 3-Amino-5-bromotoluene | (3-Bromo-5-methylphenyl)amine | SCHEMBL429677 | PS-510

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504762321

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762321

Sourires canoniques

CC1=CC(=CC(=C1)Br)N

IUPAC Name

3-bromo-5-methylaniline

InChIKey

YIZRPAWCIFTHNA-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3

Isomères SMILES

CC1=CC(=CC(=C1)Br)N

Poids moléculaire

186.05

Reaxy-Rn

2827908

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2827908&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - 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 aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Air Sensitive
• Point d'éclair (°C): 112 °C
• Point d'ébullition (°C): 260 °C
• Point de fusion (°C): 37 °C
• Poids moléculaire: 186.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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

Foire aux questions

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 is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 74586-53-1, the molecular formula is C7H8BrN, and the molecular weight is 186.05 g/mol. InChIKey YIZRPAWCIFTHNA-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.