3-Isothiocyanato-1-propene

Basic Information

View in Editor

CAS Number

8007-40-7

Molecular Formula

C4H5NS

Molecular Weight

99.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

View in Editor

C=CCN=C=S

InChI

InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

InChIKey

ZOJBYZNEUISWFT-UHFFFAOYSA-N

LogP

1.2752

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

Mustardseed Oil
Mustard Oil
pellet binder

MDL Number

MFCD00004822

FAQ

What are the physical and chemical properties of 3-Isothiocyanato-1-propene (CAS: 8007-40-7)?

3-Isothiocyanato-1-propene (CAS: 8007-40-7) is a colorless liquid with a pungent odor. It has a molecular weight of approximately 109.14 g/mol and is soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo addition reactions. It is also known for its thioether and isothiocyanate functionality, which makes it useful in various chemical transformations.

How is 3-Isothiocyanato-1-propene (CAS: 8007-40-7) typically synthesized?

3-Isothiocyanato-1-propene is typically synthesized by the reaction of isothiocyanic acid with propene. The process involves the addition of phosgene to propene followed by hydrolysis to form the isothiocyanate. This reaction is carried out under specific conditions to ensure high yield and selectivity. The use of appropriate catalysts can enhance the efficiency of the synthesis.

What industries use 3-Isothiocyanato-1-propene (CAS: 8007-40-7)?

3-Isothiocyanato-1-propene (CAS: 8007-40-7) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of certain drugs that require isothiocyanate groups. It is also used in the polymer industry for the preparation of functionalized polymers. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Isothiocyanato-1-propene (CAS: 8007-40-7)?

When handling 3-Isothiocyanato-1-propene (CAS: 8007-40-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to the compound. Spills should be cleaned up immediately using appropriate absorbents. Always consult a safety data sheet (SDS) for detailed information on handling and disposal instructions.