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Other Organic Building Blocks

Butyl Isocyanate

Available on request

Butyl Isocyanate (CAS 111-36-4) supplier Zemixal. Request a quote with price, lead time and documents. Part of our Other Organic Building Blocks range.

Pack sizes
Butyl Isocyanate chemical structure
CAS number111-36-4
FormulaC5H9NO
Molar mass99.13 g/mol
InChIKeyHNHVTXYLRVGMHD-UHFFFAOYSA-N
IUPAC name1-isocyanatobutane

About Butyl Isocyanate

Zemixal supplies Butyl Isocyanate within its pharma Intermediates & Building Blocks portfolio. For your records, the material is defined by CAS 111-36-4, formula C5H9NO and molar mass 99.13 g/mol.

Where it is used

  • Organic synthesis
  • API synthesis

Safe handling

Classified under GHS with signal word Danger and hazard statements H224, H225, H302 and H311. Read the SDS before first use.

Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. You receive a batch certificate of analysis and a 16-section SDS with each order. Request pricing online and we confirm availability, documentation and freight to your country.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Specifications and identifiers

Specifications of Butyl Isocyanate
Product nameButyl Isocyanate
Catalogue numberZX-039664
CAS number111-36-4
IUPAC name1-isocyanatobutane
Molecular formulaC5H9NO
Molar mass99.13 g/mol
Exact mass99.0684
XLogP32.3
H-bond donors / acceptors0 / 2
Topological polar surface area29.4 Ų
InChIKeyHNHVTXYLRVGMHD-UHFFFAOYSA-N
SMILESCCCCN=C=O
PubChem CID8110
SynonymsButane, 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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS02 Flammable
Flammable
GHS05 Corrosive
Corrosive
GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard

Signal word Danger

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Butyl Isocyanate
100 mgQuoted on request
250 mgQuoted on request
1 gQuoted on request
5 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Butyl Isocyanate

Which CAS number identifies Butyl Isocyanate?
Butyl Isocyanate is registered under CAS 111-36-4. You may also see it listed as Butane, 1-isocyanato-, 1-Butyl isocyanate, n-butylisocyanate. Our catalogue number for this item is ZX-039664.
What are the formula and molar mass of Butyl Isocyanate?
For Butyl Isocyanate, its formula is C5H9NO and its molar mass is 99.13 g/mol. The systematic (IUPAC) name is 1-isocyanatobutane. InChIKey HNHVTXYLRVGMHD-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Butyl Isocyanate?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Butyl Isocyanate?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Butyl Isocyanate to my country?
Yes. Because Butyl Isocyanate is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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