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2-tert-Butylphenyl isocyanate

CAS 56309-60-5(CH3)3CC6H4NCOChemical Synthesis

2-tert-Butylphenyl isocyanate (CAS 56309-60-5) is an organic compound with the linear formula (CH3)3CC6H4NCO and a molecular weight of 175.23 g/mol. This isocyanate serves as a valuable building block in chemical synthesis, particularly for introducing the 2-tert-butylphenyl group into larger molecules. Its reactivity makes it suitable for research and development in various chemical sectors.

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2-tert-Butylphenyl isocyanate ((CH3)3CC6H4NCO) — chemical structure, CAS 56309-60-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

2-tert-Butylphenyl isocyanate is employed as a reactive intermediate in the synthesis of more complex organic molecules. Its isocyanate functionality readily participates in addition reactions with nucleophiles.

Research and Development

This compound is utilised in chemical research and development laboratories for exploring new synthetic pathways and creating novel chemical entities. It is a key component in the development of new materials and active pharmaceutical ingredients.

Building Block for Specialty Chemicals

The unique structure of 2-tert-Butylphenyl isocyanate makes it a useful building block for the synthesis of specialty chemicals, including potential agrochemicals and performance materials.

02 /Properties
Molecular weight175.23
Linear formula(CH3)3CC6H4NCO
Assay98%
Boiling point225 °C(lit.)
Density1.012 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.525(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H334May cause allergy or asthma symptoms 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
  • P342
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point92 °C / 197.6 °F
Transport (UN / ADR)UN 2206 6.1/PG 3
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)23-26-36

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

04 /Identifiers & registry
CAS number
56309-60-5
MDL number
MFCD00831041
PubChem substance
24873662
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 2-tert-Butylphenyl isocyanate used for?

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2-tert-Butylphenyl isocyanate is primarily used as a building block and intermediate in organic synthesis and research and development for creating more complex organic molecules and specialty chemicals.

What is the CAS number and chemical formula for 2-tert-Butylphenyl isocyanate?

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The CAS number for 2-tert-Butylphenyl isocyanate is 56309-60-5, and its linear formula is (CH3)3CC6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-tert-Butylphenyl isocyanate with a minimum purity of 98%. TSS does not represent this chemical as USP, BP, or EP grade.

How should 2-tert-Butylphenyl isocyanate be handled safely?

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Handling requires caution due to hazards including harmful if swallowed, inhaled, or in contact with skin, and causing skin, eye, and respiratory irritation. Use in a well-ventilated area with appropriate personal protective equipment such as eyeshields, face shields, gloves, and a suitable respirator. Refer to the Safety Data Sheet for comprehensive guidance.

How is 2-tert-Butylphenyl isocyanate packed, shipped, and exported?

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2-tert-Butylphenyl isocyanate is packed according to international shipping regulations for hazardous materials, including UN 2206 classification. Tech Serve Solutions exports globally, ensuring compliance with all relevant transport and customs requirements.

How can I request a sample or quote for 2-tert-Butylphenyl isocyanate?

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To request a sample or quote, please contact the Tech Serve Solutions sales team via our website or direct email, providing your specific requirements and shipping details.

Need 2-tert-Butylphenyl isocyanate in a specific grade or volume?