3,4-Dimethylphenyl isocyanate
3,4-Dimethylphenyl isocyanate (CAS 51163-27-0) is an organic compound with the linear formula (CH3)2C6H3NCO and a molecular weight of 147.17 g/mol. As an isocyanate, it serves as a reactive intermediate and building block in organic synthesis. Its primary utility lies in chemical reactions where the isocyanate group can be derivatized to form amides, ureas, and other functional groups, making it valuable in the development of new chemical entities.
- Synonyms
- (CH3)2C6H3NCO

Organic Synthesis Intermediate
Utilised as a reactive building block in the synthesis of more complex organic molecules. The isocyanate functionality readily reacts with nucleophiles such as alcohols and amines.
Pharmaceutical Research
Serves as a precursor or reagent in the development of novel pharmaceutical candidates. Its reactive nature allows for incorporation into diverse molecular scaffolds.
Material Science
Can be employed in the creation of specific polymers or functional materials where the isocyanate group is leveraged for cross-linking or monomer incorporation.
| Molecular weight | 147.17 |
|---|---|
| Linear formula | (CH3)2C6H3NCO |
| Assay | 98% |
| Boiling point | 85 °C/2 mmHg(lit.) |
| Density | 1.051 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.536(lit.) |

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 equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 92 °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.
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.
What is 3,4-Dimethylphenyl isocyanate used for?
+
3,4-Dimethylphenyl isocyanate is primarily used as a reactive intermediate and building block in organic synthesis, particularly in the development of new chemical entities and potentially in material science applications.
What is the CAS number and formula for 3,4-Dimethylphenyl isocyanate?
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The CAS number is 51163-27-0 and the linear formula is (CH3)2C6H3NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3,4-Dimethylphenyl isocyanate with a minimum assay of 98%. We do not represent this product as USP, BP, or EP grade.
How should 3,4-Dimethylphenyl isocyanate be handled safely?
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This compound is classified under GHS07 with a Warning signal word. It carries hazard statements H302, H312, H315, H319, H332, and H335, indicating it is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation, and respiratory irritation. Appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, should be used. Always consult the Safety Data Sheet before handling.
How is 3,4-Dimethylphenyl isocyanate packed, shipped, and exported?
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3,4-Dimethylphenyl isocyanate is packed according to industry standards for hazardous materials and is shipped and exported globally by Tech Serve Solutions in compliance with all relevant regulations for UN 2206, Class 6.1, PG 3.
How can I request a quote or sample of 3,4-Dimethylphenyl isocyanate?
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To request a quote or sample, please contact our sales department through the website or via direct inquiry, providing your specific requirements and shipping details.
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