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2-tert-Butyl-6-methylphenyl isocyanate

CAS 13680-30-3(CH3)3CC6H3(CH3)NCOChemical Synthesis

2-tert-Butyl-6-methylphenyl isocyanate (CAS: 13680-30-3) is an organic compound with the linear formula (CH3)3CC6H3(CH3)NCO and a molecular weight of 189.25 g/mol. This isocyanate derivative serves as a valuable building block in chemical synthesis. Its reactivity makes it suitable for incorporation into more complex molecular structures, particularly in research and development settings within the fine chemical and pharmaceutical intermediate sectors.

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2-tert-Butyl-6-methylphenyl isocyanate ((CH3)3CC6H3(CH3)NCO) — chemical structure, CAS 13680-30-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Utilised as a reactive intermediate in the synthesis of various organic compounds. Its isocyanate group readily participates in addition reactions, forming ureas, carbamates, and other derivatives.

Pharmaceutical Research

Employed in the development of novel pharmaceutical compounds where the incorporation of its specific structural motif is desired. It acts as a precursor for potential drug candidates.

Material Science Applications

Can be used in the development of specialised polymers or functional materials, leveraging the reactivity of the isocyanate group for cross-linking or functionalisation.

02 /Properties
Molecular weight189.25
Linear formula(CH3)3CC6H3(CH3)NCO
Assay97%
Boiling point242 °C(lit.)
Melting point34-38 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • 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 equipmentdust mask type N95 (US), Eyeshields, Gloves
Flash point109 °C / 228.2 °F
Transport (UN / ADR)UN 3335
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)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
13680-30-3
MDL number
MFCD00037033
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-Butyl-6-methylphenyl isocyanate used for?

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2-tert-Butyl-6-methylphenyl isocyanate is primarily used as an intermediate in organic synthesis, particularly in pharmaceutical research and the development of specialised materials.

What are the CAS number and formula for this compound?

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The CAS number is 13680-30-3 and the linear formula is (CH3)3CC6H3(CH3)NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-tert-Butyl-6-methylphenyl isocyanate with an assay of 97%. This product is intended for research and chemical synthesis purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.

How should 2-tert-Butyl-6-methylphenyl isocyanate be handled safely?

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Handling requires appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. It is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation. Ensure good ventilation and avoid dust formation.

How is this chemical packed and exported?

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This chemical is packed according to safety regulations for transport and can be exported globally by Tech Serve Solutions.

How can I request a quote or sample?

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To request a quote or sample, please contact the Tech Serve Solutions sales team through our website or direct inquiry channels.

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