4-(3-Bromophenyl)morpholine - ≥98% , CAS No.197846-82-5

CAS: 197846-82-5 Cat. No.: B182489 Fórmula: C₁₀H₁₂BrNO Peso molecular: 242.11 Número EC: 109-171-7

GRADE & PURITY ≥98%

Synonyms

F0001-2450 | EN300-1228921 | SCHEMBL1432105 | A23040 | PS-6071 | S12014 | J-513366 | MFCD04112585 | FT-0646986 | AC-22771 | AB17645 | MORPHOLINE, 4-(3-BROMOPHENYL)- | SY008072 | 1-bromo-3-(4-morpholino)benzene, AldrichCPR | AM20030279 | Morpholine,4-(3-br

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

F0001-2450 | EN300-1228921 | SCHEMBL1432105 | A23040 | PS-6071 | S12014 | J-513366 | MFCD04112585 | FT-0646986 | AC-22771 | AB17645 | MORPHOLINE, 4-(3-BROMOPHENYL)- | SY008072 | 1-bromo-3-(4-morpholino)benzene, AldrichCPR | AM20030279 | Morpholine,4-(3-br

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488195030

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195030

Sonrisas canónicas

C1COCCN1C2=CC(=CC=C2)Br

IUPAC Name

4-(3-bromophenyl)morpholine

InChIKey

RQMIVKDXRGZOBQ-UHFFFAOYSA-N

INCHI

1S/C10H12BrNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2

Isómeros SMILES

C1COCCN1C2=CC(=CC=C2)Br

Peso molecular

242.11

Reaxy-Rn

7807638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7807638&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 242.110 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.01 Da
• Monoisotopic Mass: 241.01 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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

Preguntas frecuentes

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.

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 197846-82-5, the molecular formula is C10H12BrNO, and the molecular weight is 242.11 g/mol. InChIKey RQMIVKDXRGZOBQ-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.