3-(bromomethyl)oxolane - ≥97% , CAS No.165253-29-2

CAS: 165253-29-2 Cat. No.: B174868 Summenformel: C₅H₉BrO Molekulargewicht: 165.03 EG-Nummer: 685-743-4

GRADE & PURITY ≥97%

Synonyms

3-(bromomethyl)-tetrahydrofuran;3-(Bromomethyl)tetrahydrofuran | TETRAHYDRO-3-FURANYLMETHYL BROMIDE | (bromomethyl)tetrahydrofuran | F8880-3165 | AXQYVOIYCYAVSW-UHFFFAOYSA-N | SY042030 | 3-(Bromomethyl)tetrahydrofuran | 3-(bromomethyl)-tetrahydrofuran | B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-(bromomethyl)-tetrahydrofuran;3-(Bromomethyl)tetrahydrofuran | TETRAHYDRO-3-FURANYLMETHYL BROMIDE | (bromomethyl)tetrahydrofuran | F8880-3165 | AXQYVOIYCYAVSW-UHFFFAOYSA-N | SY042030 | 3-(Bromomethyl)tetrahydrofuran | 3-(bromomethyl)-tetrahydrofuran | B

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488198605

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198605

Kanonisches Lächeln

C1COCC1CBr

IUPAC Name

3-(bromomethyl)oxolane

InChIKey

AXQYVOIYCYAVSW-UHFFFAOYSA-N

INCHI

1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2

Isomere SMILES

C1COCC1CBr

WGK Deutschland

3

Molekulargewicht

165.03

Reaxy-Rn

13755217

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13755217&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxolane - 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 oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen 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

• Brechungsindex: n20/D 1.494
• Flammpunkt (°F): 167 °F
• Flammpunkt (°C): 75 °C
• Molekulargewicht: 165.030 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.984 Da
• Monoisotopic Mass: 163.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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