4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride

C16H17Cl3N4

CAS159939-85-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
159939-85-2
EC Number
425-030-5
UN Number
3261
Index Number
612-249-00-8
PubChem CID
91980975

Physical-chemical properties

Molecular Formula
C16H17Cl3N4
Molar Mass
371.70 g/mol
IUPAC Name
4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride

Chemical Identifiers

InChI
InChI=1S/C16H15ClN4.2ClH/c17-13-3-1-2-11(8-13)16(21-7-6-20-10-21)12-4-5-14(18)15(19)9-12;;/h1-10,16H,18-19H2;2*1H
InChI Key
KQJIWUSBJURZNV-UHFFFAOYSA-N

Overview

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride (CAS 159939-85-2) is an organic chemical compound with imidazole functionality and corrosive properties. This specialized chemical compound belongs to the class of substituted benzene diamines and features a complex molecular structure incorporating both imidazole and chlorophenyl groups. With the molecular formula C16H17Cl3N4 and a molecular weight of 371.7 g/mol, this compound represents an important intermediate in pharmaceutical and chemical synthesis applications. The presence of multiple functional groups, including the imidazole ring system and diamine functionality, makes it particularly valuable for specific industrial processes requiring precise molecular recognition or binding properties. The compound exhibits significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 2), acute toxicity (Acute Tox. 4), and skin corrosion (Skin Corr. 1B). These properties necessitate careful handling protocols and appropriate personal protective equipment during processing and storage. The material also demonstrates skin sensitization potential and chronic aquatic toxicity, requiring environmental precautions during use and disposal. Its classification under ADR Class 8 indicates its corrosive nature for transportation purposes. Primary industrial applications include pharmaceutical intermediate synthesis, where its unique structural features enable the development of bioactive compounds, and specialty chemical manufacturing for research and development purposes. The compound's imidazole functionality makes it particularly useful in coordination chemistry applications, similar to how other nitrogen-containing compounds like tributyl(tetradecyl)phosphanium tetrafluoroborate serve specialized roles in chemical processes. OYSI provides reliable access to this technical chemical compound with appropriate documentation and safety data sheets for European industrial customers.

Safety & Classification

Danger
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

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

Harmful

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

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 Number3261
ADR Class8
Packing GroupIII
Tunnel CodeE
Proper Shipping Name4-[(3-Chlorphenyl)(1H-imidazol-1-yl)methyl]-1,2-benzendiamin-dihydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is an organic chemical compound with the molecular formula C16H17Cl3N4 and CAS number 159939-85-2. This dihydrochloride salt has a molecular weight of 371.7 g/mol and contains imidazole and diamine functional groups. It is classified as a hazardous substance with corrosive, sensitizing, and reproductive toxicity properties, requiring careful handling in industrial applications.

What are the physicochemical properties of 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is a solid compound at room temperature with a molecular weight of 371.7 g/mol. As a dihydrochloride salt, it typically exhibits good water solubility. The presence of aromatic rings, imidazole, and amine groups contributes to its chemical reactivity. The compound contains three chlorine atoms and displays characteristic properties of organic nitrogen-containing heterocycles.

What is 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride used for?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is primarily used as a research chemical and pharmaceutical intermediate. Its imidazole and diamine functional groups make it valuable in medicinal chemistry applications, particularly in drug development and synthesis. The compound may serve as a building block for creating more complex pharmaceutical molecules or as a reference standard in analytical chemistry applications within specialized industrial and research settings.

How to handle 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride safely?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride requires strict safety measures due to its corrosive and sensitizing properties. Use full personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact completely. Use non-sparking tools and ensure proper grounding. Handle only trained personnel familiar with corrosive chemical procedures.

How to store 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride correctly?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled. Store separately from strong bases, oxidizing agents, and reducing agents. Ensure secondary containment for spill prevention. Access should be restricted to authorized personnel only. Regular inspection of storage containers is essential to prevent degradation or leakage.

What to do in case of contact with 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride?

In case of skin contact with 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases due to the compound's corrosive and sensitizing properties. Do not induce vomiting if ingested.

How to dispose of 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride appropriately?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride must be disposed of as hazardous waste according to local and national regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into sewers, waterways, or the environment. Contaminated packaging should also be treated as hazardous waste. Maintain proper documentation of disposal activities. Consider waste minimization strategies and recovery options where applicable under professional guidance.

How to transport 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is classified as ADR Class 8 (corrosive substances), Packing Group III for transportation purposes. It requires appropriate corrosive substance packaging, proper hazard labeling, and transport documentation. Only certified carriers with hazardous materials handling capabilities should transport this compound. Ensure packages are properly sealed, labeled with GHS pictogrammes (GHS05, GHS07, GHS08, GHS09), and accompanied by safety data sheets during shipment.

Is 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride subject to particular regulations?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is subject to REACH regulation for registration, evaluation, and authorization in Europe. It is classified under CLP regulation with multiple hazard classes including Skin Corr. 1B, Repr. 2, Acute Tox. 4, Skin Sens. 1, and Aquatic Chronic 2. While not currently listed as SVHC, its reproductive toxicity and other hazardous properties require strict compliance with occupational health and environmental protection regulations.

Where to buy 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride in Europe?

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to qualified industrial and research customers with proper documentation and regulatory compliance. Due to its hazardous classification, purchase is restricted to authorized users with appropriate handling capabilities and safety infrastructure. Contact OYSI directly for availability, technical specifications, and regulatory documentation requirements.

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4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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