Butyl Isocyanate

About Butyl Isocyanate

Butyl Isocyanate is an organic building block carrying the CAS registry number 111-36-4. With the molecular formula C5H9NO, it has a molar mass of 99.13 g/mol. The IUPAC name is 1-isocyanatobutane. Common synonyms include Butane, 1-isocyanato- and 1-Butyl isocyanate.

Store sealed in a dry, well-ventilated location away from incompatible materials. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

Typical applications include organic synthesis and API synthesis. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer Butyl Isocyanate in 100 mg, 250 mg, 1 g and 5 g packs with a batch-specific COA, and ship to customers worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request. Larger quantities and custom packaging are available. Request a quote for pricing and lead time.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Butyl Isocyanate
Catalogue No.	VQ-049525
CAS Number	111-36-4
IUPAC name	1-isocyanatobutane
Molecular formula	C₅H₉NO
Molecular weight	99.13 g/mol
Exact mass	99.0684
InChIKey	HNHVTXYLRVGMHD-UHFFFAOYSA-N
SMILES	CCCCN=C=O
PubChem CID	8110

Physical properties
Physical form	Other
LogP (XLogP3)	2.3
H-bond donors / acceptors	0 / 2
TPSA	29.4 Å²
Synonyms	Butane, 1-isocyanato-, 1-Butyl isocyanate, n-butylisocyanate, Isocyanic acid, butyl ester, Isocyanic Acid Butyl Ester, Butyl isocyanate, n-, butanisocyanate, butyl isocynate, 1-Butylisocyanate, n-butyl-isocyanate, n-butyliso-cyanate

Safety & hazard information (GHS)

Flammable

Corrosive

Toxic

Harmful / irritant

Health hazard

Signal word: Danger

Hazard statements

H224Extremely flammable liquid and vapor
H225Highly flammable liquid and vapor
H302Harmful if swallowed
H311Toxic in contact with skin
H314Causes severe skin burns and eye damage
H317May cause an allergic skin reaction
H318Causes serious eye damage
H330Fatal if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation

Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264 + P265, P270, P271, P272, P280, P284, P301 + P317, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P303 + P361 + P353, P304 + P340, P305 + P354 + P338, P316

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Butyl Isocyanate?

The CAS Registry Number of Butyl Isocyanate is 111-36-4. It is also known as Butane, 1-isocyanato-, 1-Butyl isocyanate, n-butylisocyanate.

What is the molecular formula and molecular weight of Butyl Isocyanate?

Butyl Isocyanate has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-isocyanatobutane.

Which grade and pack sizes of Butyl Isocyanate can I order?

We supply Butyl Isocyanate, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Butyl Isocyanate?

Yes. Every lot of Butyl Isocyanate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Butyl Isocyanate be shipped internationally?

Yes. Butyl Isocyanate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.