Dimethyl (2-oxoheptyl)phosphonate

Basic Information

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CAS Number

36969-89-8

Molecular Formula

C9H19O4P

Molecular Weight

222.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

89°C/0.1mmHg

Refractive Index

n20/D 1.444(lit.)

SMILES

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CCCCCC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

InChIKey

LQZCYXCHWNQBKX-UHFFFAOYSA-N

LogP

2.6217000000000006

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

207

Synonyms & References

English

DTXSID30190463
CS-0152335
Dimethyl 2-oxoheptylphosphonate
AS-61398
F52652
SCHEMBL2304429
Dimethyl (2-oxoheptyl)phosphonate
(2-Oxoheptyl)phosphonic Acid Dimethyl Ester
dimethyl(2-oxoheptyl)phosphonate
InChI=1/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
dimethyl-(2-oxo-heptyl)phosphonate
AC-30869
Phosphonic acid, P-(2-oxoheptyl)-, dimethyl ester
NS00030134
36969-89-8
EINECS 253-293-4
BCP16204
MFCD00009514
Dimethyl (2-oxoheptyl)-phosphonate
Phosphonic acid, (2-oxoheptyl)-, dimethyl ester
2-oxoheptylphosphonic acid dimethyl ester
(R)-methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
AKOS015899104
FT-0639352
SY050922
1-dimethoxyphosphorylheptan-2-one
dimethyl 2-oxoheptyl phosphonate
LQZCYXCHWNQBKX-UHFFFAOYSA-
Dimethyl 2-oxoheptylphosphonate, technical grade, 85%
D4244
AMY30099

MDL Number

MFCD00009514

Customs Code

2931900090

FAQ

What regulatory guidelines apply to Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8)?

Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8) falls under various regulatory guidelines, including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance in the GHS system, with specific handling and storage instructions. Under REACH, it must be registered if it meets the tonnage threshold. FDA/EPA regulations govern its use in pharmaceuticals, pesticides, and environmental management.

Are there alternatives to Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8) in synthesis?

In the synthesis of similar compounds, alternatives such as other phosphonates or similar functional groups can be used. For instance, dimethyl (2-oxodecyl)phosphonate or dimethyl (2-oxohexyl)phosphonate are potential substitutes. These alternatives may offer similar functionality but with different chemical properties, making them suitable for various applications.

What is the market or research trend for Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8)?

The market for Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8) is driven by its applications in pharmaceuticals, agricultural chemicals, and research. Recent trends show an increasing focus on its use in developing novel compounds for drug discovery and pest control. Research is also exploring its potential in biocatalysis and as a precursor in organic synthesis.

How should waste containing Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8) be handled?

Waste containing Dimethyl (2-oxoheptyl)phosphonate (CAS: 36969-89-8) should be handled according to hazardous waste management protocols. Initial collection should be done in appropriate containers, followed by neutralization or incineration. Professional waste disposal services are recommended to ensure compliance with environmental regulations. Proper environmental protection measures, including spill prevention and containment, should be in place during handling and disposal.