3-(4-bromophenyl)azetidine - ≥97% , CAS No.7215-01-2

CAS: 7215-01-2 Cat. No.: A634423 Formula: C₉H₁₀BrN Molecular Weight: 212.09 PubChem CID: 23619

GRADE & PURITY ≥97%

Synonyms

AZETIDINE, 3-(p-BROMOPHENYL)- | PS-19097 | SB51445 | 3-(4-bromophenyl)azetidine | FT-0663830 | GS0564 | EN300-131404 | SY019231 | A936762 | BRN 1424810 | JHJFWWNFVIMSMT-UHFFFAOYSA-N | 3-(p-Bromophenyl)azetidine | MFCD01665286 | L 2421 | AKOS017398266 | DT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AZETIDINE, 3-(p-BROMOPHENYL)- | PS-19097 | SB51445 | 3-(4-bromophenyl)azetidine | FT-0663830 | GS0564 | EN300-131404 | SY019231 | A936762 | BRN 1424810 | JHJFWWNFVIMSMT-UHFFFAOYSA-N | 3-(p-Bromophenyl)azetidine | MFCD01665286 | L 2421 | AKOS017398266 | DT

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

C1C(CN1)C2=CC=C(C=C2)Br

IUPAC Name

3-(4-bromophenyl)azetidine

InChIKey

JHJFWWNFVIMSMT-UHFFFAOYSA-N

INCHI

1S/C9H10BrN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2

Isomeric SMILES

C1C(CN1)C2=CC=C(C=C2)Br

Alternate CAS

7215-01-2

PubChem CID

23619

Molecular Weight

212.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines
      • Subclass Phenylazetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Phenylazetidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazetidines
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylazetidine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine 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

Chemical and Physical Properties

• Molecular Weight: 212.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211 Da
• Monoisotopic Mass: 211 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 7215-01-2, the molecular formula is C9H10BrN, and the molecular weight is 212.09 g/mol. InChIKey JHJFWWNFVIMSMT-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.