4-amino-3-fluorophenol

C6H6FNO

CAS399-95-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
399-95-1
EC Number
241-775-7
UN Number
3077
Index Number
604-028-00-X
PubChem CID
2735919

Physical-chemical properties

Molecular Formula
C6H6FNO
Molar Mass
127.12 g/mol
IUPAC Name
4-amino-3-fluorophenol

Chemical Identifiers

InChI
InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChI Key
MNPLTKHJEAFOCA-UHFFFAOYSA-N

Overview

4-amino-3-fluorophenol (CAS 399-95-1) is an aromatic amine compound with both amino and hydroxyl functional groups on a fluorinated benzene ring. This fluorinated phenolic compound represents an important intermediate in pharmaceutical and fine chemical synthesis. With its molecular formula C6H6FNO and molecular weight of 127.12 g/mol, 4-amino-3-fluorophenol combines the reactivity of an aniline derivative with the unique properties imparted by fluorine substitution. The presence of both electron-donating amino and hydroxyl groups, along with the electron-withdrawing fluorine atom, creates a distinctive electronic environment that makes this compound valuable for specialized synthetic applications. From a safety perspective, 4-amino-3-fluorophenol requires careful handling due to its classification as a Category 1B carcinogen, necessitating strict protective measures including appropriate ventilation, personal protective equipment, and adherence to occupational exposure limits. The compound also exhibits acute toxicity and skin sensitization properties, requiring comprehensive risk assessment protocols in industrial settings. Its aquatic chronic toxicity classification demands proper waste management and environmental protection measures. In industrial applications, 4-amino-3-fluorophenol serves primarily as a pharmaceutical intermediate in the synthesis of fluorinated drug compounds, where the fluorine atom can enhance bioavailability and metabolic stability. It also finds use in the production of specialty dyes and advanced materials where fluorine incorporation is desired. Like other aromatic amines such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, this compound's reactivity makes it suitable for various coupling and condensation reactions in organic synthesis. OYSI provides 4-amino-3-fluorophenol to qualified industrial customers with comprehensive technical documentation and safety data sheets to ensure proper handling and regulatory compliance.

Safety & Classification

Danger
Classification:

Carc. 1B; Acute Tox. 4 *; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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:

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 Name4-Amino-3-fluorphenol
Marine PollutantNo

Frequently Asked Questions

What is 4-amino-3-fluorophenol?

4-amino-3-fluorophenol is an aromatic organic compound with the molecular formula C6H6FNO and CAS number 399-95-1. This fluorinated phenol derivative contains both amino and hydroxyl functional groups on a benzene ring, with a molecular weight of 127.12 g/mol. It is classified as a Category 1B carcinogen and requires careful handling due to its hazardous properties including acute toxicity and skin sensitization potential.

What are the physicochemical properties of 4-amino-3-fluorophenol?

4-amino-3-fluorophenol is a solid aromatic compound at room temperature with a molecular weight of 127.12 g/mol. As a substituted phenol, it typically appears as a crystalline powder and exhibits moderate polarity due to its amino and hydroxyl groups. The fluorine substitution affects its electronic properties and reactivity. Its solubility characteristics are influenced by the polar functional groups, making it partially soluble in polar solvents.

What is 4-amino-3-fluorophenol used for?

4-amino-3-fluorophenol serves as an important intermediate in pharmaceutical and chemical synthesis processes. It is commonly used in the manufacture of fluorinated pharmaceutical compounds, dyes, and specialty chemicals. The compound's unique substitution pattern makes it valuable for producing biologically active molecules and advanced materials. Its applications are primarily in research and development laboratories and pharmaceutical manufacturing facilities.

How to handle 4-amino-3-fluorophenol safely?

4-amino-3-fluorophenol requires strict safety measures due to its carcinogenic and sensitizing properties. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or fume hoods to prevent inhalation exposure. Avoid skin contact and ingestion. Regular health monitoring of exposed workers is recommended due to the substance's acute toxicity and carcinogenic classification.

How to store 4-amino-3-fluorophenol correctly?

4-amino-3-fluorophenol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers protected from light and moisture to prevent degradation. Storage areas must be equipped with appropriate containment measures and restricted access due to the carcinogenic nature of the substance. Maintain proper inventory records and ensure containers are properly labeled according to GHS requirements.

What to do in case of contact with 4-amino-3-fluorophenol?

Immediate action is required following exposure to 4-amino-3-fluorophenol due to its toxic properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly for any exposure, especially given the substance's carcinogenic classification and sensitization potential.

How to dispose of 4-amino-3-fluorophenol properly?

4-amino-3-fluorophenol must be disposed of as hazardous waste through licensed waste management companies due to its carcinogenic and environmentally hazardous properties. The substance cannot be disposed of in regular waste streams or sewage systems. Follow local and national regulations for hazardous waste disposal, including proper documentation and manifesting. Incineration at high temperatures in authorized facilities is typically the preferred disposal method for this type of aromatic compound.

How to transport 4-amino-3-fluorophenol?

4-amino-3-fluorophenol is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. Packages must be properly marked, labeled, and documented according to dangerous goods regulations. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Transport vehicles must carry proper emergency response information and drivers need hazardous materials training certification. Ensure compliance with international transport regulations for cross-border shipments.

Is 4-amino-3-fluorophenol subject to specific regulations?

4-amino-3-fluorophenol is subject to multiple regulatory frameworks including REACH registration requirements for European market access and CLP classification as a Category 1B carcinogen. The substance requires safety data sheets, proper labeling with GHS08, GHS07, and GHS09 pictograms, and the danger signal word. While not currently listed as an SVHC, its carcinogenic classification subjects it to strict occupational health regulations and potential restrictions on certain uses.

Where to buy 4-amino-3-fluorophenol in Europe?

4-amino-3-fluorophenol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides properly classified and documented chemical products with full regulatory compliance including safety data sheets and transport documentation. As a hazardous substance requiring specialized handling, it is essential to source from qualified suppliers who understand the regulatory requirements and safety protocols necessary for this carcinogenic material.

Data Sources

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