Diisopropyl Isothiocyanato Phenoxybenzene
A specialty aryl isothiocyanate intermediate supplied by Chelora Chemicals — the penultimate building block in the manufacture of the thiourea acaricide/insecticide Diafenthiuron — exported from Indonesia with full batch documentation on every shipment.
What Diisopropyl Isothiocyanato Phenoxybenzene is, and why buyers source it
A working overview of the compound's chemistry, its specific role in Diafenthiuron manufacture, and the grades Chelora Chemicals keeps in regular supply.
Diisopropyl Isothiocyanato Phenoxybenzene (1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene) is an aryl isothiocyanate built on a 2,6-diisopropyl-4-phenoxyphenyl core. The isothiocyanate group (–N=C=S) at the ring position between the two isopropyl groups is a highly electrophilic functional group, reacting readily with primary and secondary amines to form substituted thioureas — this reactivity is the entire reason the molecule exists commercially.
At room temperature it is typically a light yellow, oily, viscous liquid, consistent with its relatively high molecular weight and the steric bulk of the two isopropyl substituents. It is practically insoluble in water but dissolves in common organic solvents, and like other isothiocyanates is handled with care given its irritant and reactive nature.
Where it fits in the synthesis chain
This isothiocyanate is the direct precursor to Diafenthiuron, a thiourea-class acaricide and insecticide used against mites and whiteflies in a range of field and horticultural crops. Reacting the isothiocyanate with tert-butylamine adds the amine across the electrophilic carbon of the –N=C=S group, giving the substituted thiourea that is Diafenthiuron itself. Buyers producing Diafenthiuron, or related thiourea/carbodiimide agrochemicals built on the same 2,6-diisopropyl-4-phenoxyphenyl scaffold, are the primary market for this intermediate.
Grades we supply
Chelora Chemicals offers Diisopropyl Isothiocyanato Phenoxybenzene in technical grade (≈95% assay) for standard agrochemical synthesis, and high-purity grade (98%+) for applications sensitive to colour or residual catalyst carryover. Both grades are supplied with a batch-wise certificate of analysis.
How Diisopropyl Isothiocyanato Phenoxybenzene is made
An overview of the production route for orientation purposes. Our manufacturing partners' own process parameters and in-process controls are proprietary and are not disclosed beyond what is needed to interpret the certificate of analysis.
Diisopropyl Isothiocyanato Phenoxybenzene is manufactured from 2,6-diisopropylaniline in a multi-step sequence. The aniline is first brominated under controlled low-temperature conditions, then the resulting bromide is etherified with phenol under basic, catalysed conditions at elevated temperature to introduce the phenoxy group at the position para to the amine, giving 2,6-diisopropyl-4-phenoxyaniline. This aniline intermediate is then converted to the isothiocyanate, classically by reaction with thiophosgene, or by an equivalent isothiocyanate-forming route using a thiocyanate salt under acidic conditions, giving the title compound.
After the isothiocyanate-forming step, the crude product is separated from residual reagents and salts, washed, and purified to the required assay and colour before packing.
Why this intermediate, rather than making Diafenthiuron directly in one pot
Isolating the isothiocyanate as a discrete, well-characterised intermediate lets Diafenthiuron formulators control the final thiourea-forming step (reaction with tert-butylamine) independently, with its own process controls and purity checks, rather than running the whole sequence as a single uncontrolled multi-step process. This is also why the isothiocyanate itself is traded as a distinct commercial intermediate.
Industries and processes that use it
Diisopropyl Isothiocyanato Phenoxybenzene is consumed almost exclusively as the key intermediate for Diafenthiuron and related thiourea-class agrochemicals. The fields below cover the uses we see through our export desk.
Diafenthiuron Acaricide/Insecticide Manufacture
Reaction with tert-butylamine gives Diafenthiuron, a thiourea-class acaricide and insecticide used against mites and whiteflies in field and horticultural crops.
Thiourea & Carbodiimide Agrochemical Chemistry
The reactive isothiocyanate group is a general building block for other substituted thioureas and carbodiimides built on the same diisopropylphenoxyphenyl scaffold.
Fine-Chemical & Specialty Synthesis
Used more broadly wherever a bulky, electrophilic aryl isothiocyanate is required as a synthesis building block.
Regulatory & Residue Reference Chemistry
Also referenced in the literature as a process-related impurity marker for Diafenthiuron, relevant to regulatory residue and purity testing.
How the molecule is typically carried forward
The isothiocyanate group is the whole point of this molecule: a highly electrophilic carbon that reacts readily with amines. Reaction classes below cover the main ways it is converted downstream.
Thiourea Formation with tert-Butylamine
Addition of tert-butylamine across the isothiocyanate's electrophilic carbon gives the substituted thiourea Diafenthiuron directly — the single most important reaction this molecule undergoes commercially.
Thiourea Formation with Other Amines
Other primary and secondary amines react analogously to give a family of substituted thioureas on the same aromatic scaffold, used in agrochemical research and specialty synthesis.
Reaction with Alcohols
Under suitable conditions, alcohols can add across the isothiocyanate to give the corresponding thiocarbamate ester, a less common but recognised route for specialty synthesis.
Hydrolysis
Under aqueous conditions, particularly with heat or base, the isothiocyanate can hydrolyse to give the corresponding carbamic acid/amine and release of hydrogen sulfide or related sulfur species; controlled anhydrous handling avoids this side reaction during storage and use.
Diisopropyl Isothiocyanato Phenoxybenzene against other specialty intermediates we supply
Buyers sourcing this isothiocyanate are usually deep into a specific agrochemical synthesis chain. A quick reference to what else is on our regular supply list.
| Product | CAS Number | Category | Notes |
|---|---|---|---|
| Diisopropyl Isothiocyanato Phenoxybenzene | 80058-93-1 | Aryl isothiocyanate | The product on this page — the key precursor to Diafenthiuron. |
| 2-Hydrazino-4-Methylbenzothiazole | 20174-68-9 | Heterocyclic hydrazine | Another specialty heterocyclic/agrochemical intermediate — see its product page. |
| Anisole | 100-66-3 | Aromatic ether | A simpler aromatic ether building block elsewhere in our range — see its product page. |
| Nitrobenzene | 98-95-3 | Mono-nitro aromatic | The foundational nitroaromatic building block in our broader range — see its product page. |
Exact physical constants and purity specifications are confirmed per batch on the certificate of analysis — treat the notes above as a sourcing guide, not a specification sheet, for products other than Diisopropyl Isothiocyanato Phenoxybenzene.
Safety classification at a glance
Based on GHS classification as commonly listed for this substance. This is a summary for orientation only — always work from the current safety data sheet supplied with your specific batch.
Isothiocyanates are generally irritating to the skin, eyes and respiratory tract; treat any contact as significant.
Vapour or dust from aryl isothiocyanates can be lachrymatory (eye-irritating from a distance); work in a well-ventilated area or fume hood.
Reacts readily, often exothermically, with amines and other nucleophiles; keep away from amines during storage and transport.
Hydrolyses under aqueous or basic conditions with potential release of sulfur-containing by-products; store under dry conditions.
Impervious gloves, splash-proof eye protection and suitable respiratory protection are the baseline for routine handling.
Avoid any release to drains or waterways as a general precaution for reactive organosulfur intermediates.
Warning — irritant classification applies; confirm full classification against the SDS for the exact grade shipped.
As an aryl isothiocyanate, this compound is irritating to the skin, eyes and respiratory tract and can be lachrymatory; it should be handled with impervious gloves, splash-proof eye protection and suitable respiratory protection in a well-ventilated area, and kept away from amines and moisture during storage. Full first-aid, storage, spill and PPE guidance is in the MSDS issued with every shipment, and should be read in full before this material is handled.
Keeping it on spec between delivery and use
General storage guidance for this grade. Site-specific storage rules, segregation requirements and re-test intervals should follow your own EHS procedures and the MSDS issued with your batch.
Store in a cool, dry, well-ventilated area away from direct sunlight, moisture and amine-containing materials, in tightly closed original packaging under an inert headspace where practical. Isothiocyanates are generally more moisture- and amine-sensitive than typical aromatic intermediates, so shelf life is correspondingly shorter; re-check isothiocyanate content and colour if a batch is held past its retest date.
How it ships from Indonesia
Standard packing and export terms for this product. Confirm exact figures against your order — they vary slightly by destination and quantity.
What travels with every batch
Specification is agreed before the purchase order, not discovered on arrival. Every shipment of Diisopropyl Isothiocyanato Phenoxybenzene leaves with a documented, checkable paper trail.
Certificate of Analysis
Batch-wise assay, isothiocyanate content and colour, issued against the agreed specification so your QC team can check it, not just file it.
Safety Data Sheet
GHS-format SDS in English covering hazard classification, handling, storage, first-aid and spill response for the exact grade shipped.
Technical Data Sheet
Reference physical and chemical properties, recommended storage and typical applications, for internal circulation to your process or R&D teams.
Certificate of Origin
Confirms Indonesian origin for customs clearance and any preferential-duty claim at your destination port.
Dangerous Goods Declaration
UN packing group, classification and shipper's declaration prepared ahead of loading so documentation never holds up customs.
Third-Party Inspection
Independent pre-shipment inspection and re-sampling can be arranged on request, at your cost, for buyers who require it as a matter of policy.
Frequently asked questions
What buyers most often ask our sales desk about this grade.
01What is Diisopropyl Isothiocyanato Phenoxybenzene used for?+
02What is the CAS number of this compound?+
03How is Diisopropyl Isothiocyanato Phenoxybenzene made?+
04What purity grades does Chelora Chemicals supply?+
05Is this compound hazardous?+
06How does this relate to Diafenthiuron?+
07What packing options are available?+
08How long does delivery take?+
09Can I get a sample before placing a bulk order?+
10Do you supply other specialty agrochemical intermediates?+
Need Diisopropyl Isothiocyanato Phenoxybenzene on spec, on time?
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