1-isocyanatobutane(CAS: 111-36-4)

CAS Number
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Basic Information
Molecular Formula
C5H9NO
Molecular Weight
99.13 g/mol
Physical Properties
Melting Point
85.5℃
Boiling Point
115°C
Flash Point
17 ºC
Chemical Identifiers
SMILES
CCCCN=C=O
InChIKey
HNHVTXYLRVGMHD-UHFFFAOYSA-N
Database References
MDL Number
MFCD00002046
FAQ
1-Isocyanatobutane (CAS: 111-36-4) is a colorless liquid with a molecular weight of approximately 101.13 g/mol. It has a density of 0.85 g/cm³ and is slightly soluble in water. It is highly reactive, particularly towards nucleophiles and amines. This compound is used in polymer synthesis and as a precursor in the production of polyurethanes.
1-Isocyanatobutane is typically synthesized via a nitration and deamination process. The nitration of butylamine with nitric acid yields 2-nitrobutylamine, which is then deaminated using a catalytic method with a metal catalyst, such as zinc or iron. This process provides a high yield of the target compound with good selectivity.
1-Isocyanatobutane (CAS: 111-36-4) is primarily used in the polymer industry, particularly in the synthesis of polyurethane prepolymers. It also has applications in the pharmaceutical industry for the production of certain active pharmaceutical ingredients and in the sensor industry for the development of gas-sensitive materials.
Proper handling of 1-isocyanatobutane (CAS: 111-36-4) requires the use of personal protective equipment, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat and sources of ignition. Spills should be handled using appropriate absorbents, and proper waste management procedures should be followed. Always refer to the safety data sheet (SDS) for detailed handling instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
Contact Person
Fang Chao
3003755934@qq.com











