3,4-dichloroaniline

C6H5Cl2N

CAS95-76-1
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
95-76-1
EC Number
202-448-4
UN Number
3442
Index Number
612-202-00-1
PubChem CID
7257

Physical-chemical properties

Molecular Formula
C6H5Cl2N
Molar Mass
162.01 g/mol
IUPAC Name
3,4-dichloroaniline

Chemical Identifiers

InChI
InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChI Key
SDYWXFYBZPNOFX-UHFFFAOYSA-N

Overview

3,4-dichloroaniline (CAS 95-76-1) is an aromatic amine compound featuring two chlorine substituents on the benzene ring adjacent to the amino group. This halogenated aniline derivative represents an important intermediate in organic synthesis and industrial chemistry. The compound's molecular structure, characterized by chlorine atoms at the 3 and 4 positions relative to the amino group, imparts specific reactivity patterns that make it valuable for various chemical transformations. With a molecular weight of 162.01 g/mol and formula C6H5Cl2N, 3,4-dichloroaniline exhibits properties typical of chlorinated aromatic amines while maintaining the nucleophilic character of the amino functional group. The substance presents significant safety considerations, classified under multiple acute toxicity categories and requiring careful handling protocols. Its classification includes severe eye damage potential, skin sensitization properties, and acute aquatic toxicity, necessitating appropriate personal protective equipment and environmental controls during use. The GHS06, GHS05, and GHS09 pictograms reflect these hazardous properties, while its ADR Class 6.1 designation indicates toxic substance classification for transportation purposes. In industrial applications, 3,4-dichloroaniline serves primarily as an intermediate in pharmaceutical synthesis, agrochemical production, and dye manufacturing. The compound's reactivity profile makes it particularly useful in the synthesis of herbicides and pesticides, where the chlorinated aromatic structure contributes to biological activity. Like related compounds such as 1-chloro-4-isocyanatobenzene, it plays a crucial role in creating complex molecular architectures through various coupling reactions and functional group transformations. OYSI maintains reliable supply chains for 3,4-dichloroaniline to support European industrial customers' technical and manufacturing requirements.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquati...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very 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

Toxic

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

Toxic

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

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

Toxic

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 Number3442
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name3,4-Dichloranilin, fest
Marine PollutantNo

Frequently Asked Questions

What is 3,4-dichloroaniline?

3,4-dichloroaniline is an aromatic amine compound with the molecular formula C6H5Cl2N and CAS number 95-76-1. It consists of an aniline molecule substituted with two chlorine atoms at the 3 and 4 positions of the benzene ring. With a molecular weight of 162.01 g/mol, this chemical intermediate is classified as highly hazardous, requiring careful handling due to its acute toxicity, eye damage potential, and skin sensitization properties.

What are the physicochemical properties of 3,4-dichloroaniline?

3,4-dichloroaniline is typically a crystalline solid at room temperature, appearing as light brown to gray crystals or powder. It has limited solubility in water but dissolves well in organic solvents such as ethanol, acetone, and benzene. The compound exhibits characteristic aniline-like odor and is sensitive to light and air, which can cause discoloration. Its melting point is around 71-72°C, and it has relatively low volatility at ambient temperatures.

What is 3,4-dichloroaniline used for?

3,4-dichloroaniline is primarily used as an intermediate in the synthesis of dyes, pigments, and pharmaceuticals. It serves as a key building block in the production of azo dyes and serves as a precursor for various agrochemical compounds including herbicides and pesticides. The compound is also utilized in the manufacturing of specialty chemicals and polymer additives. Its applications are mainly confined to industrial settings due to its hazardous nature.

How to handle 3,4-dichloroaniline safely?

3,4-dichloroaniline requires strict safety measures including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Personnel must wear appropriate protective clothing to prevent skin contact, as the compound can cause sensitization and is acutely toxic. Work should be conducted in fume hoods or controlled environments. Emergency washing facilities must be readily available, and personnel should be trained on proper handling procedures to minimize exposure risks.

How to store 3,4-dichloroaniline correctly?

3,4-dichloroaniline should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Storage areas must be secured and accessible only to trained personnel. The compound should be kept away from strong oxidizing agents, acids, and bases to prevent dangerous reactions. Temperature should be maintained below 25°C, and containers should be properly labeled with hazard information and stored in secondary containment systems.

What to do in case of contact with 3,4-dichloroaniline?

Skin contact with 3,4-dichloroaniline requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. Eye contact demands immediate irrigation with clean water for 15-20 minutes and urgent medical attention due to potential eye damage. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical care. All exposure incidents require prompt medical evaluation.

How to dispose of 3,4-dichloroaniline appropriately?

3,4-dichloroaniline disposal must comply with local and European waste regulations as hazardous chemical waste. The compound cannot be disposed of in regular waste streams or sewage systems due to its environmental toxicity and acute hazard classification. Disposal should be handled by licensed hazardous waste management companies through approved methods such as high-temperature incineration. All waste containers must be properly labeled and documented according to regulatory requirements.

How to transport 3,4-dichloroaniline?

3,4-dichloroaniline is classified under ADR Class 6.1 (toxic substances) Packing Group II, requiring specialized transport procedures. Packages must bear appropriate hazard labels including GHS06 (skull and crossbones), GHS05 (corrosion), and GHS09 (environmental hazard) pictograms. Transport must comply with UN packaging requirements and be handled by certified dangerous goods carriers. Shipping documentation must include proper shipping names, hazard classifications, and emergency response information.

Is 3,4-dichloroaniline subject to specific regulations?

3,4-dichloroaniline is subject to European REACH regulation requiring registration and safety data sheets. Under CLP regulation, it carries multiple hazard classifications including acute toxicity, eye damage, skin sensitization, and aquatic toxicity, requiring the 'Danger' signal word. The compound may be subject to additional restrictions on use and supply. Companies handling this substance must comply with occupational health regulations and environmental protection requirements across EU member states.

Where to buy 3,4-dichloroaniline in Europe?

3,4-dichloroaniline is available through specialized chemical distributors in Europe, including OYSI, which supplies high-quality chemical products to industrial customers across European markets. Due to its hazardous classification and regulatory requirements, purchase is typically restricted to qualified industrial users with proper handling facilities and safety measures. Suppliers must provide comprehensive safety documentation and ensure compliance with REACH and transportation regulations for professional applications.

Data Sources

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