3-chloro-4-nitroaniline

C6H5ClN2O2

CAS825-41-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
825-41-2
UN Number
2237
Index Number
610-006-00-0
PubChem CID
69996

Physical-chemical properties

Molecular Formula
C6H5ClN2O2
Molar Mass
172.57 g/mol
IUPAC Name
3-chloro-4-nitroaniline

Chemical Identifiers

InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
InChI Key
LDSIOPGMLLPSSR-UHFFFAOYSA-N

Overview

3-chloro-4-nitroaniline (CAS 825-41-2) is a substituted aniline compound with both chlorine and nitro functional groups that exhibits significant toxicological properties. This aromatic amine derivative represents an important intermediate in organic synthesis and chemical manufacturing processes. With a molecular formula of C6H5ClN2O2 and molecular weight of 172.57 g/mol, 3-chloro-4-nitroaniline belongs to the family of halogenated nitroanilines that are widely utilized in industrial chemistry. The compound features dual substitution on the benzene ring, with a chlorine atom at the 3-position and a nitro group at the 4-position relative to the amino group, creating a unique reactivity profile that makes it valuable for specific synthetic applications. The substance is classified under multiple hazard categories including acute toxicity categories 1 and 2, requiring stringent safety protocols during handling and storage. Its classification under STOT RE 2 indicates potential for repeated exposure organ toxicity, while the aquatic chronic toxicity classification reflects environmental persistence concerns. The compound falls under ADR class 6.1, designating it as a toxic substance for transport purposes. Industrial applications primarily focus on pharmaceutical intermediate synthesis, dye manufacturing, and specialty chemical production. Like related compounds such as 2,4-dinitroaniline, it serves as a building block for more complex molecular structures. The compound's dual functional groups enable diverse chemical transformations including reduction, substitution, and coupling reactions, making it particularly valuable in multi-step synthetic processes. OYSI maintains reliable supply chains for 3-chloro-4-nitroaniline to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *; STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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

Inhalation

Fatal

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

Fatal

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

Fatal

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 Number2237
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name3-Chlor-4-nitroanilin, fest
Marine PollutantNo

Frequently Asked Questions

What is 3-chloro-4-nitroaniline?

3-chloro-4-nitroaniline is an aromatic amine compound with the molecular formula C6H5ClN2O2 and CAS number 825-41-2. This chemical substance features both chlorine and nitro functional groups attached to an aniline backbone, giving it a molecular weight of 172.57 g/mol. It is classified as a highly toxic substance with significant health and environmental hazards, requiring careful handling and storage procedures in industrial applications.

What are the physicochemical properties of 3-chloro-4-nitroaniline?

3-chloro-4-nitroaniline is typically a crystalline solid at room temperature with a characteristic yellow to orange color. As an aromatic amine derivative, it exhibits limited water solubility but dissolves well in organic solvents such as alcohols and ethers. The compound has a molecular weight of 172.57 g/mol and contains both electron-withdrawing groups (chloro and nitro) that influence its chemical reactivity and stability properties.

What is 3-chloro-4-nitroaniline used for?

3-chloro-4-nitroaniline is primarily used as an intermediate in the synthesis of dyes, pigments, and pharmaceutical compounds. In the chemical industry, it serves as a building block for producing azo dyes and other colorants used in textiles and printing applications. Additionally, it functions as a precursor in the manufacture of certain pharmaceutical active ingredients and specialty chemicals requiring specific substitution patterns on the aromatic ring.

How to handle 3-chloro-4-nitroaniline safely?

3-chloro-4-nitroaniline requires strict safety measures due to its high toxicity classification (Acute Tox. 1 and 2). Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. All handling procedures must follow established safety protocols to minimize skin contact and vapor exposure risks.

How to store 3-chloro-4-nitroaniline correctly?

3-chloro-4-nitroaniline must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The substance should be kept in tightly sealed, labeled containers to prevent moisture absorption and contamination. Storage areas must be secured and accessible only to trained personnel due to the compound's high toxicity. Regular inspection of storage conditions and container integrity is essential for maintaining safety standards.

What to do in case of contact with 3-chloro-4-nitroaniline?

Immediate action is required for any contact with 3-chloro-4-nitroaniline due to its high toxicity. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure and provide safety data sheet information to medical personnel.

How to dispose of 3-chloro-4-nitroaniline appropriately?

3-chloro-4-nitroaniline disposal must comply with local and international hazardous waste regulations due to its toxic and environmentally harmful properties. The substance requires treatment by licensed hazardous waste disposal facilities equipped to handle toxic organic compounds. Incineration at high temperatures in specialized facilities is typically the preferred disposal method. Never dispose of this chemical through regular waste streams or drainage systems due to environmental contamination risks.

How to transport 3-chloro-4-nitroaniline?

3-chloro-4-nitroaniline is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. Shipments must use UN-approved packaging and proper hazard labels including the toxic substance pictogram. Transport documentation must include proper shipping names, hazard classifications, and emergency response information. Only certified carriers experienced in handling toxic chemicals should transport this substance, following all applicable dangerous goods regulations.

Is 3-chloro-4-nitroaniline subject to particular regulations?

3-chloro-4-nitroaniline is subject to comprehensive chemical safety regulations including REACH registration requirements in Europe and CLP classification obligations. The substance carries multiple hazard classifications (Acute Tox. 1-2, STOT RE 2, Aquatic Chronic 2) requiring detailed safety data sheets and risk assessments. While not currently listed as an SVHC substance, its high toxicity classification means it may face additional restrictions or monitoring requirements under evolving chemical safety legislation.

Where to buy 3-chloro-4-nitroaniline in Europe?

3-chloro-4-nitroaniline is available through OYSI, a specialized European distributor of technical chemicals and intermediates. As a professional chemical supplier, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this highly toxic substance. Due to the strict handling and regulatory requirements associated with this chemical, procurement should only be conducted through established distributors with expertise in hazardous chemical supply chains and appropriate safety protocols.

Data Sources

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