2-fluoro-4-hydroxybenzonitrile
C7H4FNO
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Identification
- CAS Number
- 82380-18-5
- EC Number
- 422-810-7
- UN Number
- 3077
- Index Number
- 608-062-00-6
- PubChem CID
- 2734675
Physical-chemical properties
- Molecular Formula
- C7H4FNO
- Molar Mass
- 137.11 g/mol
- IUPAC Name
- 2-fluoro-4-hydroxybenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
- InChI Key
- REIVHYDACHXPNH-UHFFFAOYSA-N
Overview
2-fluoro-4-hydroxybenzonitrile (CAS 82380-18-5) is a fluorinated aromatic compound with hydroxyl and nitrile functional groups offering versatile chemical reactivity. This specialized organic intermediate belongs to the family of substituted benzonitriles, characterized by the presence of both electron-withdrawing fluorine and nitrile groups alongside an electron-donating hydroxyl substituent. The molecular formula C7H4FNO and molecular weight of 137.11 g/mol reflect its compact yet functionally diverse structure. The compound's unique substitution pattern creates distinctive electronic properties that make it valuable in synthetic chemistry applications. From a safety perspective, 2-fluoro-4-hydroxybenzonitrile requires careful handling due to its classification as Acute Tox. 4 and Eye Dam. 1 under GHS regulations. The presence of GHS07, GHS05, and GHS09 pictograms indicates potential acute toxicity, serious eye damage, and environmental hazards respectively. Its ADR Class 9 classification as a miscellaneous dangerous substance necessitates appropriate transportation precautions. Proper personal protective equipment and ventilation systems are essential when working with this material. In industrial applications, this compound serves primarily as a pharmaceutical intermediate and specialty chemical building block. Its combination of functional groups makes it particularly useful in medicinal chemistry for synthesizing bioactive compounds. The fluorine substitution often enhances metabolic stability and bioavailability in drug development processes. Additionally, it finds application in agrochemical synthesis and advanced materials research, where compounds like 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide hydrochloride demonstrate similar pharmaceutical utility. OYSI maintains reliable supply chains for 2-fluoro-4-hydroxybenzonitrile, ensuring consistent availability for European industrial and research customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4 *; Eye Dam. 1; Aquatic Chronic 2
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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2-Fluor-4-hydroxybenzonitril |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-fluoro-4-hydroxybenzonitrile?
2-fluoro-4-hydroxybenzonitrile is an aromatic organic compound with the molecular formula C7H4FNO and CAS number 82380-18-5. This benzonitrile derivative features a fluorine atom at position 2 and a hydroxyl group at position 4 on the benzene ring, along with a cyano group. With a molecular weight of 137.11 g/mol, it serves as an important chemical intermediate in organic synthesis and pharmaceutical applications.
What are the physicochemical properties of 2-fluoro-4-hydroxybenzonitrile?
2-fluoro-4-hydroxybenzonitrile typically appears as a solid crystalline powder at room temperature. The compound contains both polar functional groups (hydroxyl and cyano) and a fluorine substituent, which influences its solubility characteristics. The presence of the hydroxyl group enables hydrogen bonding, while the fluorine atom affects the compound's electronic properties and reactivity patterns in chemical transformations.
What is 2-fluoro-4-hydroxybenzonitrile used for?
2-fluoro-4-hydroxybenzonitrile serves primarily as a chemical intermediate in pharmaceutical synthesis and fine chemical manufacturing. The compound is utilized in the production of various active pharmaceutical ingredients (APIs) and specialty chemicals. Its unique substitution pattern makes it valuable for creating fluorinated aromatic compounds, which are increasingly important in modern drug discovery and agrochemical development due to their enhanced biological activity and metabolic stability.
How to handle 2-fluoro-4-hydroxybenzonitrile safely?
2-fluoro-4-hydroxybenzonitrile requires careful handling due to its Acute Tox. 4 and Eye Dam. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation of dust or vapors, and ensure proper training on emergency procedures before handling.
How to store 2-fluoro-4-hydroxybenzonitrile correctly?
2-fluoro-4-hydroxybenzonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard information. Storage areas should be equipped with appropriate spill containment measures and emergency equipment. Regular inspection of containers for damage or deterioration is recommended to maintain product integrity and safety.
What to do in case of contact with 2-fluoro-4-hydroxybenzonitrile?
Immediate action is required for contact with 2-fluoro-4-hydroxybenzonitrile due to its eye damage potential. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention immediately. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention. Always consult the safety data sheet for complete emergency procedures.
How to dispose of 2-fluoro-4-hydroxybenzonitrile appropriately?
2-fluoro-4-hydroxybenzonitrile disposal must comply with local, national, and international environmental regulations due to its Aquatic Chronic 2 classification. The compound should never be discharged into drains, soil, or water bodies. Disposal should be conducted through licensed hazardous waste disposal companies using appropriate methods such as controlled incineration. Contaminated packaging and materials require similar professional disposal treatment to prevent environmental impact.
How to transport 2-fluoro-4-hydroxybenzonitrile?
2-fluoro-4-hydroxybenzonitrile is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transportation must comply with ADR/RID regulations for road/rail transport and IATA/IMDG for air/sea transport. Proper shipping names, hazard labels, and handling instructions must accompany all shipments.
Is 2-fluoro-4-hydroxybenzonitrile subject to specific regulations?
2-fluoro-4-hydroxybenzonitrile falls under European REACH regulation requiring registration for manufacture or import above certain tonnages. The compound is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, Eye Dam. 1, Aquatic Chronic 2) requiring appropriate labeling and safety data sheets. It is not currently listed as a SVHC (Substance of Very High Concern), but users must comply with all applicable chemical safety regulations and occupational exposure limits.
Where to buy 2-fluoro-4-hydroxybenzonitrile in Europe?
2-fluoro-4-hydroxybenzonitrile is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with complete documentation including certificates of analysis, safety data sheets, and regulatory compliance information. Their European distribution network ensures reliable supply and technical support for industrial and research applications requiring this specialized benzonitrile derivative.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.