4-(3-Bromobenzoyl)morpholine - ≥97% , CAS No.153435-81-5

CAS: 153435-81-5 Cat. No.: B181705 Summenformel: C₁₁H₁₂BrNO₂ Molekulargewicht: 270.12

GRADE & PURITY ≥97%

Synonyms

AS-59917 | FT-0733075 | (3-bromophenyl)-morpholin-4-ylmethanone | 3-Bromobenzoic acid, morpholide | AKOS000170017 | DTXSID20336292 | MFCD00194119 | (3-Bromophenyl)(morpholino)methanone | (3-Bromophenyl)(morpholin-4-yl))methanone | SCHEMBL1368169 | 4-(3-Br

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-59917 | FT-0733075 | (3-bromophenyl)-morpholin-4-ylmethanone | 3-Bromobenzoic acid, morpholide | AKOS000170017 | DTXSID20336292 | MFCD00194119 | (3-Bromophenyl)(morpholino)methanone | (3-Bromophenyl)(morpholin-4-yl))methanone | SCHEMBL1368169 | 4-(3-Br

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1C(=O)C2=CC(=CC=C2)Br
• IUPAC Name: (3-bromophenyl)-morpholin-4-ylmethanone
• InChIKey: ZVHMYYPSUJGLHH-UHFFFAOYSA-N
• INCHI: 1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
• Isomere SMILES: C1COCCN1C(=O)C2=CC(=CC=C2)Br
• Molekulargewicht: 270.12
• Reaxy-Rn: 9699405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9699405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Morpholine carboxylic acids and derivatives Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzamide - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the 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: 270.120 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 269.005 Da
• Monoisotopic Mass: 269.005 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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 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 153435-81-5, the molecular formula is C11H12BrNO2, and the molecular weight is 270.12 g/mol. InChIKey ZVHMYYPSUJGLHH-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.