4-(3-Bromophenyl)morpholine, HCl - ≥98% , CAS No.197846-83-6

CAS: 197846-83-6 Cat. No.: B182490 Formula: C₁₀H₁₃BrClNO Molecular Weight: 278.6 EC Number: 801-927-0 PubChem CID: 46739823

GRADE & PURITY ≥98%

Synonyms

Morpholine, 4-(3-bromophenyl)-, hydrochloride (1:1) | EN300-7366024 | 4-(3-bromophenyl)morpholine;hydrochloride | 4-(3-Bromophenyl)morpholine,hcl | MFCD12913975 | Z1269131213 | 4-(3-Bromophenyl)morpholine hydrochloride | 4-(3-Bromophenyl)morpholine, HCl |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Morpholine, 4-(3-bromophenyl)-, hydrochloride (1:1) | EN300-7366024 | 4-(3-bromophenyl)morpholine;hydrochloride | 4-(3-Bromophenyl)morpholine,hcl | MFCD12913975 | Z1269131213 | 4-(3-Bromophenyl)morpholine hydrochloride | 4-(3-Bromophenyl)morpholine, HCl |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=CC(=CC=C2)Br.Cl
• IUPAC Name: 4-(3-bromophenyl)morpholine;hydrochloride
• InChIKey: CVJROQPDPXSCRZ-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrNO.ClH/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12;/h1-3,8H,4-7H2;1H
• Isomeric SMILES: C1COCCN1C2=CC(=CC=C2)Br.Cl
• PubChem CID: 46739823
• Molecular Weight: 278.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 278.570 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 276.987 Da
• Monoisotopic Mass: 276.987 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• 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: 2

XLogP3

Frequently Asked Questions

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 197846-83-6, the molecular formula is C10H13BrClNO, and the molecular weight is 278.6 g/mol. InChIKey CVJROQPDPXSCRZ-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.