1-(3-Bromophenyl)ethanamine - ≥96% , CAS No.74877-08-0

CAS: 74877-08-0 Cat. No.: B186402 Fórmula: C₈H₁₀BrN Peso molecular: 200.1

GRADE & PURITY ≥96%

Synonyms

FS-5718 | AKOS030506695 | FT-0648132 | SB34305 | ZCA87708 | 1-(3-bromophenyl)ethan-1-amine | 3-bromo-alpha-methylbenzylamine | A19133 | Benzenemethanamine, 3-bromo-.alpha.-methyl- | Benzenesulfonic acid, 2-((2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz(f,ij)i

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FS-5718 | AKOS030506695 | FT-0648132 | SB34305 | ZCA87708 | 1-(3-bromophenyl)ethan-1-amine | 3-bromo-alpha-methylbenzylamine | A19133 | Benzenemethanamine, 3-bromo-.alpha.-methyl- | Benzenesulfonic acid, 2-((2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz(f,ij)i

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 528754010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528754010
• Sorrisos canónicos: CC(C1=CC(=CC=C1)Br)N
• IUPAC Name: 1-(3-bromophenyl)ethanamine
• InChIKey: LIBZHYLTOAGURM-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
• SMILES isoméricas: CC(C1=CC(=CC=C1)Br)N
• Peso molecular: 200.1
• Reaxy-Rn: 2354572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2354572&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 200.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Zicheng Li, Xinyu Duan, Hanting Meng, Tao Man, Nan Gong, Lin-Han Li, Zehui Zhou, Can Wang, Gongxun Bai, Zhi Chen, Zhenhuang Su, Xingyu Gao, Xiaofeng Liu, Weidong Shen, Wei Qin, Peng Gao, YuHuang Wang, Lijun Zhang, Ping-Heng Tan, Hailong Chen, Jianrong Qiu, Yuanhui Sun, Beibei Xu.  (2026)  Abnormal Chiral Coupling for Efficient and Stable Reduced-Dimensional Perovskite Emitters.  ACS Nano,      [PMID:41820821] [10.1021/acsnano.5c18306]