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Butyl cyanoacetate

CAS 5459-58-5NCCH2CO2(CH2)3CH3Chemical Synthesis

Butyl cyanoacetate (CAS 5459-58-5), with the linear formula NCCH₂CO₂C₄H₉ and a molecular weight of 141.17 g/mol, is an organic ester. It is a useful intermediate in chemical synthesis, particularly for the preparation of various organic compounds. Its chemical structure lends itself to a range of reactions, making it a versatile building block in organic chemistry research and development.

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Butyl cyanoacetate (NCCH2CO2(CH2)3CH3) — chemical structure, CAS 5459-58-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC6 to C7Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Organic Synthesis Intermediate

Butyl cyanoacetate serves as a key building block in the synthesis of complex organic molecules. Its reactive methylene group and ester functionality allow for diverse chemical transformations.

Pharmaceutical Intermediate Production

It is employed in the multi-step synthesis pathways for active pharmaceutical ingredients (APIs) and related compounds. Its use contributes to the creation of novel drug candidates and existing pharmaceutical products.

Research and Development

This ester is frequently utilized in academic and industrial R&D settings for exploring new synthetic methodologies and creating novel chemical entities.

02 /Properties
Molecular weight141.17
Linear formulaNCCH2CO2(CH2)3CH3
Assay95%
Boiling point115 °C/15 mmHg(lit.)
Density0.993 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.425(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point87 °C / 188.6 °F
Transport (UN / ADR)UN 3276 6.1 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-27-36/37/39

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
5459-58-5
MDL number
MFCD00001941
PubChem substance
24854752
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Butyl cyanoacetate used for?

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Butyl cyanoacetate is primarily used as an intermediate in organic synthesis, including the production of pharmaceutical ingredients and for general research and development purposes.

What is the CAS number and formula for Butyl cyanoacetate?

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The CAS number for Butyl cyanoacetate is 5459-58-5, and its linear formula is NCCH₂CO₂C₄H₉.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Butyl cyanoacetate with an assay of 95%. We do not represent this product as USP, BP, or EP grade; it is supplied for research and industrial use.

How should Butyl cyanoacetate be handled safely?

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Butyl cyanoacetate is a warning substance that can cause harm if swallowed, inhaled, or in contact with skin, and it may cause skin and eye irritation. Appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection (e.g., type ABEK respirator filter), should be used during handling. Ensure adequate ventilation.

Can Tech Serve Solutions ship Butyl cyanoacetate internationally?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, and we can arrange for the export of Butyl cyanoacetate worldwide, adhering to all relevant shipping regulations, including UN 3276, Class 6.1, PGIII.

How can I request a sample or quote for Butyl cyanoacetate?

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To request a sample or a quote for Butyl cyanoacetate, please contact our sales team through the website or by phone, providing your specific requirements.

Need Butyl cyanoacetate in a specific grade or volume?