4-hydroxy-3,5-diiodobenzonitrile
C7H3I2NO
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Identification
- CAS Number
- 1689-83-4
- EC Number
- 216-881-1
- UN Number
- 2588
- Index Number
- 608-007-00-6
- PubChem CID
- 15530
Physical-chemical properties
- Molecular Formula
- C7H3I2NO
- Molar Mass
- 370.91 g/mol
- IUPAC Name
- 4-hydroxy-3,5-diiodobenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
- InChI Key
- NRXQIUSYPAHGNM-UHFFFAOYSA-N
Overview
4-hydroxy-3,5-diiodobenzonitrile (CAS 1689-83-4) is an iodinated aromatic compound with antimicrobial properties and high molecular weight characteristics. This specialized chemical compound, also identified by EC number 216-881-1, belongs to the family of halogenated benzonitriles with significant industrial applications. With a molecular formula of C7H3I2NO and a molecular weight of 370.91 g/mol, 4-hydroxy-3,5-diiodobenzonitrile represents a unique combination of functional groups including hydroxyl, diiodo, and nitrile substituents on a benzene ring. The presence of two iodine atoms at positions 3 and 5, combined with the hydroxyl group at position 4, creates distinct chemical properties that make this compound valuable in various technical applications. The compound requires careful handling due to its classification as a Category 2 reproductive toxicant and its acute toxicity profile. Safety considerations include proper ventilation, appropriate personal protective equipment, and adherence to ADR Class 6.1 transportation regulations. The GHS pictograms (GHS06, GHS08, GHS09) indicate health hazards, serious health hazards, and environmental hazards respectively, emphasizing the need for professional handling protocols. Industrial applications primarily focus on antimicrobial formulations and specialized chemical synthesis. The compound serves as an intermediate in pharmaceutical manufacturing and finds use in agricultural chemical production. Unlike simpler aromatic compounds such as N-methylaniline, this diiodinated derivative offers enhanced antimicrobial efficacy due to its halogen content. The environmental classification requires attention to proper waste management and disposal procedures to prevent aquatic contamination. Storage conditions should maintain stability while preventing exposure to incompatible materials. OYSI maintains technical-grade 4-hydroxy-3,5-diiodobenzonitrile in its European chemical distribution network, supporting industrial customers with reliable supply chain management and technical documentation.
Safety & Classification
Repr. 2; Acute Tox. 3 *; Acute Tox. 4 *; Acute Tox. 3 *; STOT RE 2 *; Eye Irrit. 2; Aquatic Acute...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 2588 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Ioxynil (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-hydroxy-3,5-diiodobenzonitrile?
4-hydroxy-3,5-diiodobenzonitrile is an organic compound with the molecular formula C7H3I2NO and CAS number 1689-83-4. This chemical features a benzene ring substituted with a hydroxyl group, two iodine atoms, and a nitrile group. With a molecular weight of 370.91 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicological properties.
What are the physicochemical properties of 4-hydroxy-3,5-diiodobenzonitrile?
4-hydroxy-3,5-diiodobenzonitrile is typically a solid crystalline compound at room temperature. The presence of two iodine atoms contributes to its relatively high molecular weight of 370.91 g/mol. The compound contains both hydrophilic (hydroxyl and nitrile groups) and lipophilic characteristics. Its solubility profile and exact melting point depend on purity and crystalline form.
What is 4-hydroxy-3,5-diiodobenzonitrile used for?
4-hydroxy-3,5-diiodobenzonitrile is primarily used as an intermediate in pharmaceutical synthesis and organic chemistry research. The compound serves as a building block for more complex molecules, particularly in the development of iodinated compounds. Its unique substitution pattern makes it valuable for specialized chemical transformations and as a precursor in medicinal chemistry applications.
How to handle 4-hydroxy-3,5-diiodobenzonitrile safely?
4-hydroxy-3,5-diiodobenzonitrile requires careful handling due to its classification as Acute Tox. 3-4 and Repr. 2. Essential safety measures include wearing appropriate personal protective equipment (gloves, safety glasses, lab coats), working in well-ventilated areas or fume hoods, and avoiding skin contact and inhalation. The GHS08 and GHS06 pictograms indicate serious health hazards requiring strict safety protocols.
How to store 4-hydroxy-3,5-diiodobenzonitrile correctly?
4-hydroxy-3,5-diiodobenzonitrile should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to CLP regulations. Due to its hazardous classification, storage areas should be restricted to authorized personnel only. Maintain appropriate temperature conditions and protect from light if specified by the manufacturer.
What to do in case of contact with 4-hydroxy-3,5-diiodobenzonitrile?
Immediate action is required in case of contact with 4-hydroxy-3,5-diiodobenzonitrile due to its acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact (Eye Irrit. 2), flush immediately with clean water for at least 15 minutes. If inhaled or ingested, seek immediate medical attention and provide the safety data sheet to medical personnel.
How to dispose of 4-hydroxy-3,5-diiodobenzonitrile appropriately?
4-hydroxy-3,5-diiodobenzonitrile disposal must comply with local and European waste regulations due to its hazardous classification. The compound cannot be disposed of as regular waste and requires specialized hazardous waste treatment. Contact licensed waste disposal companies for proper handling. The aquatic toxicity classification necessitates preventing environmental release. Maintain disposal records as required by regulations.
How to transport 4-hydroxy-3,5-diiodobenzonitrile?
4-hydroxy-3,5-diiodobenzonitrile is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant transport restrictions. Professional dangerous goods transportation is required with appropriate packaging, labeling, and documentation. Drivers must have ADR certification, and vehicles must carry emergency equipment. Shipments require proper dangerous goods declarations and emergency response information.
Is 4-hydroxy-3,5-diiodobenzonitrile subject to specific regulations?
4-hydroxy-3,5-diiodobenzonitrile is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as SVHC, its reproductive toxicity (Repr. 2) classification triggers specific handling and communication requirements. Users must comply with occupational exposure limits and may need authorization depending on application and quantities used.
Where to buy 4-hydroxy-3,5-diiodobenzonitrile in Europe?
4-hydroxy-3,5-diiodobenzonitrile is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound with full regulatory compliance including safety data sheets and proper hazardous goods documentation. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation according to ADR Class 6.1 requirements for toxic substances.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.