1-Chloro-2-Fluoro-3-Isocyanatobenzene: Technical Data & Sourcing
Comparing Boiling Point 185-186°C vs. CAS 720678-21-7 Isomer Profiles
In pharmaceutical process development, precise identification of aromatic isocyanates is critical to prevent downstream synthesis failures. The target material, 1-Chloro-2-Fluoro-3-Isocyanatobenzene (CAS 69922-25-4), exhibits a characteristic boiling point range of 185-186°C at atmospheric pressure. This thermal property serves as a primary differentiation marker against structural isomers, such as those referenced under CAS 720678-21-7, which may exhibit divergent volatility profiles. Procurement teams must verify distillation cuts during incoming quality control, as even minor deviations in boiling point can indicate the presence of regioisomers that alter reaction kinetics in nucleophilic additions.
Misidentification of fluorinated isocyanate isomers often leads to inconsistent yields in urea or carbamate formation. Our engineering team emphasizes verifying the refractive index alongside boiling point data. While the 185-186°C range is standard for the 3-isocyanato substitution pattern, operators should monitor for broadening distillation ranges which suggest impurity accumulation. For detailed product specifications, review our 1-Chloro-2-Fluoro-3-Isocyanatobenzene Pharmaceutical Intermediate Equivalent documentation.
Technical Specifications and Physical Constants for 1-Chloro-2-Fluoro-3-Isocyanatobenzene
Understanding the physical constants of CAS 69922-25-4 is essential for designing safe handling protocols and reactor charging sequences. The compound presents as a liquid with a density of approximately 1.369 g/mL at 25°C. This high density relative to water requires specific separation protocols during aqueous workups. The flash point is recorded at 198°F, classifying it as a combustible liquid that necessitates grounding and bonding during transfer operations to mitigate static discharge risks.
From a field engineering perspective, a non-standard parameter often overlooked in basic datasheets is the material's viscosity shift during cold chain logistics. While standard COAs report viscosity at room temperature, we have observed that during winter shipping, temperatures dropping below 5°C can induce slight thickening. This does not indicate crystallization but requires heated transfer lines or drum warmers to ensure accurate volumetric dosing in automated synthesis modules. Additionally, trace impurities affecting final product color during mixing are monitored closely, as iron contamination can catalyze darkening upon storage.
| Parameter | Standard Specification | Measurement Method |
|---|---|---|
| Molecular Formula | C7H3ClFNO | Calculated |
| Molecular Weight | 171.56 g/mol | Mass Spectrometry |
| Boiling Point | 185-186°C | Distillation |
| Density | 1.369 g/mL @ 25°C | Pychnometer |
| Refractive Index | 1.538 | Refractometry |
| Purity (GC Area %) | ≥98.0% | Gas Chromatography |
Purity Grades and Impurity Limits for Pharmaceutical Intermediate Equivalents
Industrial applications typically require a minimum purity of 98.0%, whereas pharmaceutical intermediate equivalents often demand stricter controls on specific impurities. The primary concern in aromatic isocyanate synthesis is the presence of unreacted amines or chloroformates which can interfere with subsequent coupling reactions. For R&D procurement, it is vital to specify the acceptable limit for these precursors. While standard industrial grades meet general synthesis needs, API manufacturing may require additional purification steps such as vacuum distillation or recrystallization.
Impurity profiles are batch-dependent. We do not guarantee fixed numerical limits for trace organics without reviewing the specific batch analytics. Please refer to the batch-specific COA for exact impurity thresholds regarding heavy metals or residual solvents. Consistency in the halogen substitution pattern is maintained through controlled reaction conditions, ensuring that the chlorine and fluorine positions remain stable throughout the manufacturing process.
Critical COA Parameters and Chromatographic Data for R&D Procurement
When evaluating a supplier for 1-Chloro-2-Fluoro-3-Isocyanatobenzene, the Certificate of Analysis (COA) must extend beyond simple purity percentages. Critical parameters include water content, free amine content, and acidity. Isocyanates are highly susceptible to hydrolysis; therefore, Karl Fischer titration results should be scrutinized. A water content exceeding 500 ppm can initiate exothermic polymerization during bulk storage, leading to pressure buildup in sealed containers.
Chromatographic data should ideally be generated using Gas Chromatography (GC) with a flame ionization detector (FID) or High-Performance Liquid Chromatography (HPLC) depending on the thermal stability of the derivatives being analyzed. NMR spectroscopy (Proton/Carbon) is also available upon request to confirm the substitution pattern. R&D managers should request chromatograms alongside the COA to verify peak resolution and ensure no co-eluting impurities are present that could skew quantification.
Bulk Packaging and Moisture-Controlled Containers for Isocyanate Stability
Proper packaging is the first line of defense against degradation for moisture-sensitive intermediates. Standard export packaging includes 25kg drums or 210L drums lined with high-density polyethylene. For larger volumes, IBC totes are utilized with strict moisture barriers. The headspace in these containers is typically padded with dry nitrogen to displace humid air, preventing the formation of urea sludge which can clog dispensing valves.
Storage conditions must maintain a cool, dry, and well-ventilated environment. Containers should remain tightly closed when not in use. During transport, physical integrity of the drum seals is inspected to prevent ingress of atmospheric moisture. We focus on physical packaging specifications and factual shipping methods to ensure the material arrives in the same condition it left the facility. Operators should inspect drum lids for swelling upon receipt, which may indicate prior moisture exposure and potential hydrolysis.
Frequently Asked Questions
What is the typical lead time for bulk orders of this intermediate?
Lead times vary based on current inventory levels and production scheduling. Standard stock items may ship within one week, while custom batch production requires consultation with our sales team for accurate timelines.
Can you provide stability data for long-term storage?
Stability data is batch-specific and dependent on storage conditions. We recommend storing under nitrogen at controlled temperatures. Please refer to the batch-specific COA for expiration dates and retest recommendations.
What analytical methods are used to verify purity?
We utilize GC-FID and HPLC for purity verification. NMR and Mass Spectrometry are available for structural confirmation upon request.
Is technical support available for process integration?
Yes, our engineering team provides support for handling and integration into existing synthesis pathways. Contact us for specific technical inquiries.
Sourcing and Technical Support
Reliable sourcing of fine chemicals requires a partner with robust quality control and manufacturing capabilities. NINGBO INNO PHARMCHEM CO.,LTD. maintains strict oversight on production parameters to ensure consistency across batches. Our facility supports scale-up from kilogram to metric ton quantities, accommodating both R&D trials and commercial manufacturing needs. We prioritize transparent communication regarding specifications and logistics to support your supply chain efficiency.
For custom synthesis requirements or to validate our drop-in replacement data, consult with our process engineers directly.