2-fluoro-4-hydroxybenzonitrile

C7H4FNO

CAS82380-18-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 featuring both hydroxyl and nitrile functional groups for versatile chemical synthesis applications. This specialized benzonitrile derivative represents an important intermediate in pharmaceutical and agrochemical manufacturing, combining the unique properties of fluorine substitution with reactive hydroxyl and nitrile functionalities. The compound's molecular structure (C7H4FNO) incorporates strategic positioning of the fluoro group at the ortho position and hydroxyl group at the para position relative to the nitrile substituent, creating distinct reactivity patterns valuable for synthetic chemistry applications. The presence of fluorine enhances the compound's metabolic stability and bioavailability characteristics, making it particularly relevant for pharmaceutical intermediate synthesis. The hydroxyl group provides additional sites for chemical modification, while the nitrile functionality serves as a versatile building block for further transformations into amides, acids, or heterocyclic structures. This combination of functional groups distinguishes it from simpler aromatic compounds and places it in a similar category to other specialized pharmaceutical intermediates like 3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide;hydrochloride, which also features hydroxyl groups positioned for specific synthetic applications. Safety considerations are paramount when handling this material, as it carries Acute Tox. 4 and Eye Dam. 1 classifications requiring appropriate personal protective equipment and ventilation systems. The compound also presents aquatic toxicity concerns (Aquatic Chronic 2), necessitating proper waste management protocols. Primary industrial applications include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and custom synthesis projects requiring fluorinated aromatic building blocks. The compound serves as a key starting material for developing novel therapeutic agents and agrochemical products. OYSI maintains reliable supply chains for 2-fluoro-4-hydroxybenzonitrile to support European pharmaceutical and chemical manufacturing operations.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Eye Dam. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H411

Toxic to aquatic life with long lasting effects.

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

Harmful

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

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-Fluor-4-hydroxybenzonitril
Marine PollutantNo

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 chemical features a benzene ring substituted with a fluorine atom at position 2, a hydroxyl group at position 4, and a nitrile group. With a molecular weight of 137.11 g/mol, it belongs to the class of fluorinated benzonitriles and is classified as hazardous with acute toxicity and eye damage properties.

What are the physicochemical properties of 2-fluoro-4-hydroxybenzonitrile?

2-fluoro-4-hydroxybenzonitrile is a solid aromatic compound at room temperature with the molecular formula C7H4FNO. The presence of both fluorine and hydroxyl substituents on the benzene ring influences its polarity and solubility characteristics. The nitrile functional group contributes to its chemical reactivity. As a substituted benzonitrile, it exhibits typical aromatic properties while the specific substituent pattern affects its physical properties such as melting point and solubility in various solvents.

What is 2-fluoro-4-hydroxybenzonitrile used for?

2-fluoro-4-hydroxybenzonitrile serves as an important intermediate in pharmaceutical and fine chemical synthesis. The compound's unique substitution pattern makes it valuable for developing active pharmaceutical ingredients and specialty chemicals. Its fluorine atom and hydroxyl group provide specific reactivity patterns useful in medicinal chemistry applications. The nitrile functionality allows for further chemical transformations, making it a versatile building block in organic synthesis and pharmaceutical research and development.

How to handle 2-fluoro-4-hydroxybenzonitrile safely?

2-fluoro-4-hydroxybenzonitrile must be handled with extreme caution due to its Acute Tox. 4 and Eye Dam. 1 classifications. Mandatory personal protective equipment includes chemical-resistant gloves, safety goggles with side shields, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid direct contact with skin, eyes, and inhalation of dust or vapors. Emergency eyewash stations and safety showers should be readily accessible when working with this substance.

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 direct sunlight and heat sources. The storage area must be equipped with appropriate containment systems and restricted to authorized personnel only. Keep containers upright and properly labeled according to GHS requirements. Store separately from incompatible materials and ensure compliance with local chemical storage regulations. Regular inspection of containers for damage or leakage is recommended.

What to do in case of contact with 2-fluoro-4-hydroxybenzonitrile?

Immediate action is required if contact with 2-fluoro-4-hydroxybenzonitrile occurs due to its Eye Dam. 1 classification. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek immediate medical attention. In case of skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control or emergency services when necessary.

How to dispose of 2-fluoro-4-hydroxybenzonitrile properly?

2-fluoro-4-hydroxybenzonitrile must be disposed of according to local, national, and international hazardous waste regulations due to its toxic and environmentally hazardous properties. The substance cannot be disposed of in regular waste streams and requires specialized hazardous waste treatment. Contact licensed waste disposal companies for proper collection and treatment. Contaminated packaging materials also require hazardous waste disposal. Ensure proper documentation and tracking of waste disposal activities as required by applicable regulations.

How to transport 2-fluoro-4-hydroxybenzonitrile?

2-fluoro-4-hydroxybenzonitrile is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Packages must be properly marked and labeled with appropriate hazard symbols and shipping names. Transportation should be handled by certified dangerous goods carriers with appropriate training and equipment. Ensure compliance with all applicable national and international transport regulations.

Is 2-fluoro-4-hydroxybenzonitrile subject to specific regulations?

2-fluoro-4-hydroxybenzonitrile is subject to standard EU chemical regulations including REACH and CLP requirements but is not currently listed as a Substance of Very High Concern (SVHC). The substance must comply with classification, labeling, and packaging regulations under CLP due to its hazardous properties. Users must ensure proper risk assessments, safety data sheet provisions, and worker protection measures. Additional sector-specific regulations may apply depending on the intended use and application of the substance.

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 this compound to qualified industrial and research customers across Europe with appropriate documentation and safety data sheets. As a specialized chemical requiring careful handling due to its hazardous properties, purchase is typically restricted to professional users with appropriate safety facilities and expertise. Contact OYSI directly for availability, specifications, and ordering information for your specific application requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.