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 aromatic diamine compound featuring imidazole functionality with significant biological activity potential. This specialized chemical compound represents a complex aromatic system combining benzene diamine, imidazole, and chlorinated phenyl moieties in its molecular structure. With a molecular formula of C16H17Cl3N4 and molecular weight of 371.7 g/mol, this substance exhibits unique chemical properties derived from its multiple functional groups. The compound's EC number 425-030-5 confirms its registration under European chemical regulations. The safety profile of this compound requires careful handling due to its classification under multiple hazard categories. It presents reproductive toxicity concerns (Repr. 2), acute toxicity potential (Acute Tox. 4), and causes severe skin burns and eye damage (Skin Corr. 1B). Additionally, it may cause allergic skin reactions (Skin Sens. 1) and poses chronic aquatic toxicity risks (Aquatic Chronic 2). The presence of GHS pictograms including health hazard, exclamation mark, corrosion, and environmental symbols emphasizes the need for appropriate safety measures during handling and storage. Its ADR classification as Class 8 indicates corrosive material transport requirements. Primary industrial applications include pharmaceutical intermediate synthesis, where its imidazole functionality proves valuable in drug development processes. The compound also serves in specialty chemical manufacturing for research applications and advanced material synthesis. While structurally distinct from related compounds like tributyl(tetradecyl)phosphanium tetrafluoroborate, it shares similar specialized application profiles in technical chemical processes. OYSI provides reliable access to this high-purity technical chemical compound with comprehensive safety documentation and regulatory compliance support 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 a complex organic compound with CAS number 159939-85-2 and molecular formula C16H17Cl3N4. This dihydrochloride salt has a molecular weight of 371.7 g/mol and contains multiple functional groups including an imidazole ring, chlorophenyl group, and diamine moiety. It is classified as a hazardous substance requiring careful handling due to its toxicological properties.

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 chlorinated organic compound existing as a dihydrochloride salt form. The molecular structure contains aromatic rings with chlorine substituents and nitrogen-containing heterocycles. As a salt form, it typically exhibits good water solubility and stability under normal storage conditions. The compound's specific physical properties such as melting point, appearance, and solubility characteristics should be verified through technical specifications.

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 complex structure containing imidazole and diamine functionalities makes it valuable in medicinal chemistry research and drug development processes. The compound may serve as a building block for synthesizing more complex molecules or as a reference standard in analytical applications. Industrial applications are typically limited to specialized chemical synthesis operations.

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 toxic properties. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation. The compound can cause severe skin and eye damage, respiratory irritation, and potential reproductive harm. Handle only the minimum quantities necessary and ensure emergency procedures are readily available.

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 tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area. Keep away from heat sources, direct sunlight, and incompatible materials. Due to its corrosive nature, store separately from metals, bases, and oxidizing agents. Ensure storage areas have appropriate containment measures and access is restricted to trained personnel. Regular inspection of containers for signs of deterioration is essential.

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

Immediate action is critical following contact with 4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride due to its corrosive properties. For skin contact, immediately flush with copious amounts of water for at least 15 minutes while removing contaminated clothing. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical care. Always consult emergency services for serious exposures.

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 through licensed waste management facilities. The compound cannot be disposed of in regular waste streams due to its toxic and corrosive properties. Collection in appropriate containers, proper labeling, and documentation are required. Disposal methods typically include high-temperature incineration at authorized facilities. Consult local environmental regulations and waste disposal companies for specific requirements and procedures in your region.

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. Proper UN-specification packaging must be used, with appropriate hazard labels and documentation. Transport vehicles require ADR certification and trained drivers. Emergency response information must accompany shipments. Segregation requirements must be observed to prevent incompatible materials from being transported together. All packaging, marking, and documentation must comply with international dangerous goods regulations.

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

4-[(3-chlorophenyl)-imidazol-1-ylmethyl]benzene-1,2-diamine;dihydrochloride is subject to multiple regulatory frameworks including REACH registration requirements in Europe. Under CLP regulation, it carries hazard classifications for reproductive toxicity, acute toxicity, skin corrosion, skin sensitization, and aquatic toxicity. While not currently listed as an SVHC substance, its hazard profile requires compliance with occupational exposure limits and workplace safety regulations. Users must maintain safety data sheets and implement appropriate risk management measures as mandated by chemical safety legislation.

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 specialized chemical distributors in Europe, including OYSI, which serves as a reliable supplier of technical chemicals across European markets. Due to its hazardous classification and specialized nature, this compound is typically available through established chemical supply chains with proper regulatory compliance. Procurement requires verification of end-use applications and adherence to relevant safety and regulatory requirements for handling such materials.

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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.