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2-Chloro-6-methylphenyl isocyanate

CAS 40398-01-4ClC6H3(CH3)NCOChemical Synthesis

2-Chloro-6-methylphenyl isocyanate (CAS: 40398-01-4), with the molecular formula ClC6H3(CH3)NCO and a molecular weight of 167.59 g/mol, is a reactive organic compound. This chemical is primarily utilised as a building block in organic synthesis. Its isocyanate group readily participates in addition reactions, making it valuable for the construction of more complex molecules in research and development settings.

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2-Chloro-6-methylphenyl isocyanate (ClC6H3(CH3)NCO) — chemical structure, CAS 40398-01-4; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Serves as a key intermediate in the synthesis of various organic compounds. The reactive isocyanate functionality allows for straightforward derivatization.

Research and Development

A valuable reagent for chemists exploring new synthetic pathways and developing novel chemical entities. Its specific structure facilitates targeted molecular design.

Building Block for Heterocycles

Can be employed in the construction of nitrogen-containing heterocyclic compounds, which are important motifs in pharmaceuticals and agrochemicals.

02 /Properties
Molecular weight167.59
Linear formulaClC6H3(CH3)NCO
Assay97%
Boiling point80 °C/2 mmHg(lit.)
Density1.231 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.555(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 equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point107 °C / 224.6 °F
Transport (UN / ADR)UN 2206 6.1/PG 2
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-36/37/39

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

04 /Identifiers & registry
CAS number
40398-01-4
MDL number
MFCD00037030
PubChem substance
24868184
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-Chloro-6-methylphenyl isocyanate used for?

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2-Chloro-6-methylphenyl isocyanate is primarily used as a building block in organic synthesis and in research and development for creating new chemical compounds.

What is the CAS number and chemical formula for 2-Chloro-6-methylphenyl isocyanate?

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The CAS number is 40398-01-4 and the chemical formula is ClC6H3(CH3)NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-Chloro-6-methylphenyl isocyanate with an assay of 97%. We do not represent this product as USP, BP, or EP grade.

What are the main hazards associated with 2-Chloro-6-methylphenyl isocyanate?

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This compound is classified with GHS07 symbol and a Warning signal word. It is harmful if swallowed, in contact with skin, and if inhaled. It also causes skin irritation, serious eye irritation, and may cause respiratory irritation (H302-H312-H315-H319-H332-H335).

How is 2-Chloro-6-methylphenyl isocyanate packed and shipped?

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This chemical is shipped as a hazardous material, UN 2206, Class 6.1, Packing Group II. Appropriate packaging and documentation are ensured for global export.

How can I request a quote or sample?

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To request a quote or sample, please contact our sales department through the website or by phone, providing the product name and CAS number (40398-01-4).

Need 2-Chloro-6-methylphenyl isocyanate in a specific grade or volume?