Diisopropyl (bromomethyl)phosphonate

Basic Information

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CAS Number

98432-80-5

Molecular Formula

C7H16BrO3P

Molecular Weight

259.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

262 ºC

Density

1.329

Water Solubility

Insoluble in water.

Flash Point

112 ºC

Refractive Index

1.4733

SMILES

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CC(C)OP(=O)(CBr)OC(C)C

InChI

InChI=1S/C7H16BrO3P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-7H,5H2,1-4H3

InChIKey

JNONGIUWXHOEEN-UHFFFAOYSA-N

LogP

3.3819000000000017

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

156

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

CS-0207290
AKOS015836185
DTXSID70402436
W13205
SCHEMBL525701
bromomethylphosphonic acid diisopropyl ester
Diisopropyl bromomethylphosphonate
98432-80-5
FT-0624995
diisopropyl (bromomethyl)phosphonate
AS-64021
diisopropyl(bromomethyl)phosphonate
YDA43280
bromomethylphosphonate diisopropyl ester
MFCD00236036
bis(propan-2-yl) (bromomethyl)phosphonate
2-[bromomethyl(propan-2-yloxy)phosphoryl]oxypropane
JNONGIUWXHOEEN-UHFFFAOYSA-N
SY106520

MDL Number

MFCD00236036

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Diisopropyl (bromomethyl)phosphonate (CAS: 98432-80-5)?

Diisopropyl (bromomethyl)phosphonate is a colorless to light yellow liquid with a molecular weight of approximately 262.2 g/mol. It has a specific gravity of around 1.12 g/cm³ and is sparingly soluble in water but readily soluble in organic solvents like ethanol and ethyl acetate. It is susceptible to hydrolysis and nucleophilic substitution reactions, making it reactive under certain conditions.

How is Diisopropyl (bromomethyl)phosphonate (CAS: 98432-80-5) typically synthesized?

Diisopropyl (bromomethyl)phosphonate is typically synthesized by reacting diisopropyl phosphite with bromomethyl ketone in the presence of a strong base like sodium hydride. The reaction is carried out in an inert solvent, and the yield is generally high due to the selectivity of the reaction.

What industries use Diisopropyl (bromomethyl)phosphonate (CAS: 98432-80-5)?

Diisopropyl (bromomethyl)phosphonate is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drugs. It is also utilized in the production of certain polymers and as a precursor in the development of sensors and semiconductors.

What precautions should be taken when handling Diisopropyl (bromomethyl)phosphonate (CAS: 98432-80-5)?

When handling Diisopropyl (bromomethyl)phosphonate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.