1-(2-Bromophenyl)pyrrolidine - ≥98% , CAS No.87698-81-5

CAS: 87698-81-5 Cat. No.: B187544 Formula: C₁₀H₁₂BrN Peso molecolare: 226.1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL3975556 | InChI=1/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H | SY033680 | AMY32807 | DTXSID80530537 | 1-(2-bromophenyl)pyrrolidine | AKOS015999275 | BS-24140 | MFCD20486327 | AC7051 | EN300-1899752 | FT-0686441

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL3975556 | InChI=1/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H | SY033680 | AMY32807 | DTXSID80530537 | 1-(2-bromophenyl)pyrrolidine | AKOS015999275 | BS-24140 | MFCD20486327 | AC7051 | EN300-1899752 | FT-0686441

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1CCN(C1)C2=CC=CC=C2Br
• IUPAC Name: 1-(2-bromophenyl)pyrrolidine
• InChIKey: RSEPYQZONPBLLQ-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
• Isomeri SMILES: C1CCN(C1)C2=CC=CC=C2Br
• Peso molecolare: 226.1
• Reaxy-Rn: 4397505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4397505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Dialkylarylamines 2-bromoanilines Bromobenzenes Aryl bromides Pyrroles Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Pyrrole - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 226.110 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.015 Da
• Monoisotopic Mass: 225.015 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 87698-81-5, the molecular formula is C10H12BrN, and the molecular weight is 226.1 g/mol. InChIKey RSEPYQZONPBLLQ-UHFFFAOYSA-N.

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 should this product be stored?

Store at room temperature.

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.