3-(bromomethyl)oxane - ≥97% , CAS No.116131-44-3

CAS: 116131-44-3 Cat. No.: B172263 Summenformel: C₆H₁₁BrO Molekulargewicht: 179.05 EG-Nummer: 806-646-7

GRADE & PURITY ≥97%

Synonyms

3-(bromomethyl)-tetrahydro-2H-pyran | 3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN | AS-34511 | F8889-0815 | 3-bromomethyltetrahydropyran | MFCD08235012 | PB14565 | SY042140 | ZLUWLWXZMXLDGO-UHFFFAOYSA-N | DTXSID30626974 | EN300-44032 | SCHEMBL980407 | 3-(bromometh

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

3-(bromomethyl)-tetrahydro-2H-pyran | 3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN | AS-34511 | F8889-0815 | 3-bromomethyltetrahydropyran | MFCD08235012 | PB14565 | SY042140 | ZLUWLWXZMXLDGO-UHFFFAOYSA-N | DTXSID30626974 | EN300-44032 | SCHEMBL980407 | 3-(bromometh

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528758275

Kanonisches Lächeln

C1CC(COC1)CBr

IUPAC Name

3-(bromomethyl)oxane

InChIKey

ZLUWLWXZMXLDGO-UHFFFAOYSA-N

INCHI

1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2

Isomere SMILES

C1CC(COC1)CBr

Molekulargewicht

179.05

Reaxy-Rn

103055

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103055&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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: 179.050 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.999 Da
• Monoisotopic Mass: 177.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1