4-(4-Bromo-2-chlorophenyl)morpholine - ≥96% , CAS No.1272756-07-6

CAS: 1272756-07-6 Cat. No.: B180968 분자식: C₁₀H₁₁BrClNO 분자량: 276.6

GRADE & PURITY ≥96%

Synonyms

DTXSID30743953 | 4-(4-Bromo-2-chlorophenyl)morpholine | 4-(4-Bromo-2-chloro-phenyl)-morpholine | MFCD18651678 | 1272756-07-6 | FT-0712642 | AKOS016007790 | SCHEMBL13718469 | Morpholine, 4-(4-bromo-2-chlorophenyl)- | AS-32375 | SY012346 | XAC75607

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID30743953 | 4-(4-Bromo-2-chlorophenyl)morpholine | 4-(4-Bromo-2-chloro-phenyl)-morpholine | MFCD18651678 | 1272756-07-6 | FT-0712642 | AKOS016007790 | SCHEMBL13718469 | Morpholine, 4-(4-bromo-2-chlorophenyl)- | AS-32375 | SY012346 | XAC75607

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

• 정식 스마일: C1COCCN1C2=C(C=C(C=C2)Br)Cl
• IUPAC Name: 4-(4-bromo-2-chlorophenyl)morpholine
• InChIKey: BVWSMUIJDFSXDG-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrClNO/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6H2
• 이성체 SMILES: C1COCCN1C2=C(C=C(C=C2)Br)Cl
• 분자량: 276.6
• Reaxy-Rn: 22502094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22502094&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines 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 - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Ether - Dialkyl ether - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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 1272756-07-6, the molecular formula is C10H11BrClNO, and the molecular weight is 276.6 g/mol. InChIKey BVWSMUIJDFSXDG-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.