Diethyl (4-cyanobenzyl)phosphonate

Basic Information

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CAS Number

1552-41-6

Molecular Formula

C12H16NO3P

Molecular Weight

253.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

31°C

Boiling Point

169°C

SMILES

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CCOP(=O)(CC1=CC=C(C=C1)C#N)OCC

InChI

InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3

InChIKey

MFXWOYIWKNJHPC-UHFFFAOYSA-N

LogP

3.32438

Complexity

305

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

diethyl 4-cyanobenzylphosphonate
BAA55241
(4-Cyanobenzyl)phosphonic Acid Diethyl Ester
MFCD08274488
4-(Diethylphosphonomethyl)benzonitrile
Diethyl (4-Cyanobenzyl)phosphonate
DTXSID50287061
(4-Cyano-benzyl)-phosphonic acid diethyl ester
BP-12171
FT-0743421
MFXWOYIWKNJHPC-UHFFFAOYSA-N
diethyl(4-cyanobenzyl)phosphonate
NSC 48805
diethyl (4-cyanophenyl)methylphosphonate
diethyl-p-cyanobenzyl phosphonate
p-diethylphosphonomethylbenzonitrile
Phosphonic acid, [(4-cyanophenyl)methyl]-, diethyl ester
diethyl4-cyanobenzylphosphonate
T70338
Phosphonic acid, P-[(4-cyanophenyl)methyl]-, diethyl ester
D3323
SCHEMBL578310
CS-0205251
NSC48805
NSC-48805
AKOS015836389
4-(diethoxyphosphorylmethyl)benzonitrile
1552-41-6
NS00123428
A854079
Diethyl (4-cyanobenzyl)phosphonate

MDL Number

MFCD08274488

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6)?

Diethyl (4-cyanobenzyl)phosphonate is a crystalline compound with a molecular weight of approximately 234.24 g/mol. It has a high solubility in organic solvents like methanol and acetone but is sparingly soluble in water. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is often used as an intermediate in organic synthesis due to its ability to participate in various chemical transformations.

How is Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6) typically synthesized?

Diethyl (4-cyanobenzyl)phosphonate is typically synthesized via a multistep process. A common route involves the reaction of phosphorus oxychloride with 4-cyanobenzyl alcohol, followed by the addition of diethylamine. This process requires careful control of temperature and the use of appropriate catalysts to achieve high selectivity and yield. The exact details of the synthesis can vary depending on the specific conditions and intermediates used.

What industries use Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6)?

Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6) is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It also finds applications in the polymer industry for the development of advanced materials. Additionally, it is used in the electronics industry for the fabrication of semiconductors and in the chemical industry for various organic synthesis processes.

What precautions should be taken when handling Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6)?

When handling Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6), it is essential to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and dispose of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and additional safety information.