4-Bromo-2-methylaniline - ≥98% , CAS No.583-75-5

CAS: 583-75-5 Cat. No.: B100843 分子式: C₇H₈BrN 分子量: 186.05 Beilstein Registry Number: 12838 EC番号: 209-519-9

グレード＆純度 ≥98%

Synonyms

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488181336

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181336

カノニカル・スマイル

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

IUPAC Name

4-bromo-2-methylaniline

InChIKey

PCHYYOCUCGCSBU-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

RTECS

XU4250000

分子量

186.05

Beilstein

12838

Reaxy-Rn

636521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636521&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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 Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: air sensitive& heat sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 240°C
• 融点（°C）: 57-59°C
• 分子量: 186.050 g/mol
• XLogP3: 1.900
• 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