3-Isocyanato-1-propene

Basic Information

View in Editor

CAS Number

1476-23-9

Molecular Formula

C4H5NO

Molecular Weight

83.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

87-89 °C

Water Solubility

Hydrolyzes in water.

Refractive Index

n20/D 1.417(lit.)

SMILES

View in Editor

C=CCN=C=O

InChI

InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

InChIKey

HXBPYFMVGFDZFT-UHFFFAOYSA-N

LogP

0.5082

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

81.5

Safety Information

View Safety Information

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-Isocyanato-1-propene
MFCD00002044
Allyl isocyanate
ALLylisoCYANATE
?ALLYL ISOCYANATE
UNII-DK4CJU9MCX
FT-0615921
prop-1-en-3-yl isocyanate
DK4CJU9MCX
prop-1-en-3yl isocyanate
J-008376
DTXSID8061719
NSC-96964
1476-23-9
3-isocyanatoprop-1-ene
BB 0260144
ISOCYANIC ACID, ALLYL ESTER
NSC96964
F2190-0558
1-Propene, 3-isocyanato-
CHEBI:192403
WLN: OCN2U1
AKOS005141683
Allyl isocyanate, 98%
InChI=1/C4H5NO/c1-2-3-5-4-6/h2H,1,3H
2-propenyl isocyanate
BRN 0506106
EN300-148061
Propene, 3-isocyanato-
NSC 96964
F81512

MDL Number

MFCD00002044

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 3-Isocyanato-1-propene (CAS: 1476-23-9)?

3-Isocyanato-1-propene is a volatile liquid with a pungent odor. It has a molecular weight of approximately 88.11 g/mol and a boiling point of 49°C. This compound is slightly soluble in water but miscible with most organic solvents. It is highly reactive, particularly with amines and alcohols, and is used in the synthesis of polyurethane prepolymers and other isocyanate-containing materials.

How is 3-Isocyanato-1-propene (CAS: 1476-23-9) typically synthesized?

3-Isocyanato-1-propene is typically synthesized via the reaction of propylene oxide with phosgene in the presence of a catalyst such as aluminum chloride. The reaction is exothermic and requires careful temperature control to ensure high selectivity and yield. The product is isolated by distillation and further purification if necessary.

What industries use 3-Isocyanato-1-propene (CAS: 1476-23-9)?

3-Isocyanato-1-propene is primarily used in the synthesis of polyurethane prepolymers and other isocyanate-containing materials. It finds applications in the automotive, construction, and textile industries. Additionally, it is utilized in the production of adhesives, coatings, and elastomers, which are critical components in various products ranging from furniture to sports equipment.

What precautions should be taken when handling 3-Isocyanato-1-propene (CAS: 1476-23-9)?

When handling 3-Isocyanato-1-propene, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a respirator. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled carefully using appropriate absorbent materials, and the area should be well-ventilated to prevent the accumulation of the compound. Safety data sheets (SDS) should be consulted for detailed information on emergency response and storage guidelines.