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

CAS: 74877-08-0 Cat. No.: B186402 Summenformel: C₈H₁₀BrN Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528754010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528754010
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C1=CC(=CC=C1)Br)N
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Referenzen

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]