4-(2-Bromo-4-chlorophenyl)morpholine - ≥96% , CAS No.1432058-09-7

CAS: 1432058-09-7 Cat. No.: B1268633 分子式: C₁₀H₁₁BrClNO 分子量: 276.557 PubChem CID: 81609473

GRADE & PURITY ≥96%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥96%

保管条件

Room temperature

入荷

Normal

純度

≥96%

名前と識別子

カノニカル・スマイル

C1COCCN1C2=C(C=C(C=C2)Cl)Br

IUPAC Name

4-(2-bromo-4-chlorophenyl)morpholine

InChIKey

HGZHAHONVGMGHO-UHFFFAOYSA-N

INCHI

1S/C10H11BrClNO/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6H2

異性体SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)Br

PubChem CID

81609473

分子量

276.557

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines 2-bromoanilines Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Tertiary amine - Azacycle - Ether - Dialkyl ether - Oxacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

• 分子量: 276.560 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 274.971 Da
• Monoisotopic Mass: 274.971 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% 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 1432058-09-7, the molecular formula is C10H11BrClNO, and the molecular weight is 276.557 g/mol. InChIKey HGZHAHONVGMGHO-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.