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Diethyl 4-bromobutylphosphonate

CAT: 0804-HY-140331-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140331-01Size:100 mg
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Description
Diethyl 4-bromobutylphosphonate is a diethyl ω-bromoalkylphosphonate, which can be used to synthesize new quinoquinonephosphonic acid esters[1].
CAS Number
63075-66-1
UNSPSC
12352211
Hazard Statement
H301-H311-H331-H341
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=P(OCC)(OCC)CCCCBr
Molecular Formula
C8H18BrO3P
Molecular Weight
273.10
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501
References & Citations
[1]Mattia Forchetta, et al. A Sustainable Improvement of ω-Bromoalkylphosphonates Synthesis to Access Novel KuQuinones. Organics 2021, 2 (2), 107-117.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Diethyl (4-bromobutyl)phosphonate
CAS Number63075-66-1
PubChem CID14411016
IUPAC Name1-bromo-4-diethoxyphosphorylbutane
Molecular FormulaC8H18BrO3P
Molecular Weight273.10
XLogP1.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity153
SMILES
CCOP(=O)(CCCCBr)OCC
InChI
InChI=1S/C8H18BrO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-8H2,1-2H3
InChIKey
LJSFAWDWYVZQBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl (4-bromobutyl)phosphonate
CAS: 63075-66-1
CID: 14411016
Formula: C8H18BrO3P
MW: 273.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.10
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass272.01769
Monoisotopic Mass272.01769
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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