Trimethyl-4-phosphonocrotonate

Basic Information

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CAS Number

86120-40-3

Molecular Formula

C7H13O5P

Molecular Weight

208.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

123-124 °C (1 mmHg)

Density

1.169

Flash Point

123-124°C/1mm

Refractive Index

1.437

SMILES

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COC(=O)C=CCP(=O)(OC)OC

InChI

InChI=1S/C7H13O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-5H,6H2,1-3H3/b5-4+

InChIKey

PESRINKNQQZURC-SNAWJCMRSA-N

LogP

1.2015

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

227

Synonyms & References

English

86120-40-3
SCHEMBL2643199
methyl4-(dimethoxyphosphoryl)but-2-enoate
Trimethyl 4-phosphonocrotonate, (E)+(Z)
PESRINKNQQZURC-SNAWJCMRSA-N
methyl 4-(dimethoxyphosphoryl)but-2-enoate
methyl (E)-4-dimethoxyphosphorylbut-2-enoate
MFCD00051564
Methyl-4-(dimethylphosphono)crotonate
AKOS017343521
(E)-4-(dimethoxy-phosphoryl)-but-2-enoic acid methyl ester
trimethyl 4-phosphonocrotonate
Trimethyl 4-phosphonocrotonate
TRIMETHYL-4-PHOPHONOCROTONATE
trimethyl-4-phosphonocrotonate

MDL Number

MFCD00051564

Customs Code

2931900090

FAQ

What is Trimethyl-4-phosphonocrotonate (CAS: 86120-40-3)?

Trimethyl-4-phosphonocrotonate is an organic compound with the CAS number 86120-40-3. It is a colorless liquid with a phosphonate group attached to the crotonate structure. This compound is used in pharmaceuticals and as a reagent in organic synthesis.

What are the main uses of Trimethyl-4-phosphonocrotonate (CAS: 86120-40-3)?

Trimethyl-4-phosphonocrotonate is primarily used as a reagent in organic synthesis and in the pharmaceutical industry. It is also utilized in the production of various organic compounds and in research settings for its specific functional groups.

Is Trimethyl-4-phosphonocrotonate (CAS: 86120-40-3) safe?

Trimethyl-4-phosphonocrotonate is generally safe when handled with appropriate precautions. However, it should be stored in a cool, dry place away from heat and direct sunlight. Protective gloves and goggles should be worn during handling to avoid skin contact and eye irritation.

How should Trimethyl-4-phosphonocrotonate (CAS: 86120-40-3) be stored?

Trimethyl-4-phosphonocrotonate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed, acid-resistant container to prevent contamination and degradation. Ideal storage conditions are below 25°C (77°F) and with a humidity level below 60%.