2-butyl-5-chloro-1H-imidazole-4-carbaldehyde

C8H11ClN2O

CAS83857-96-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
83857-96-9
EC Number
410-260-0
UN Number
3077
Index Number
613-156-00-5
PubChem CID
55176

Physical-chemical properties

Molecular Formula
C8H11ClN2O
Molar Mass
186.64 g/mol
IUPAC Name
2-butyl-5-chloro-1H-imidazole-4-carbaldehyde

Chemical Identifiers

InChI
InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChI Key
JLVIHQCWASNXCK-UHFFFAOYSA-N

Overview

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde (CAS 83857-96-9) is a chlorinated imidazole derivative with aldehyde functionality and sensitizing properties. This specialized organic compound belongs to the imidazole family, characterized by its five-membered heterocyclic ring containing two nitrogen atoms. With the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol, this chemical features a butyl substituent at position 2, a chlorine atom at position 5, and an aldehyde group at position 4 of the imidazole ring. The EC number 410-260-0 identifies this substance within European chemical regulations. The compound presents specific safety considerations, classified as Skin Sens. 1 under CLP regulation, indicating its potential to cause skin sensitization through dermal contact. Additionally, it carries an Aquatic Chronic 2 classification, reflecting moderate long-term environmental toxicity concerns. The GHS07 and GHS09 pictograms with "Warning" signal word emphasize the need for appropriate handling precautions and environmental protection measures. Transportation falls under ADR Class 9 for miscellaneous dangerous substances. Industrial applications typically leverage the compound's imidazole structure and aldehyde reactivity in pharmaceutical intermediates, agrochemical synthesis, and specialty chemical manufacturing. The aldehyde functionality enables condensation reactions and further derivatization, while the chlorinated imidazole core provides specific biological activity profiles. This compound shares structural similarities with other heterocyclic intermediates, though differs significantly from linear compounds like ethyl 6,8-dichlorooctanoate in terms of chemical behavior and applications. OYSI maintains reliable supply chains for this specialized imidazole derivative, supporting European industrial customers with consistent quality and regulatory compliance.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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 Name2-Butyl-4-chlor-5-formylimidazol
Marine PollutantNo

Frequently Asked Questions

What is 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is an organic chemical compound with the molecular formula C8H11ClN2O and CAS number 83857-96-9. This imidazole derivative contains a butyl side chain, a chlorine atom, and an aldehyde functional group. With a molecular weight of 186.64 g/mol, it belongs to the heterocyclic compounds family and is classified as a skin sensitizer with moderate aquatic toxicity.

What are the physicochemical properties of 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is a solid organic compound with a molecular weight of 186.64 g/mol. The presence of the aldehyde group typically confers a characteristic odor to the compound. As an imidazole derivative with both polar (imidazole ring, aldehyde) and non-polar (butyl chain) regions, it exhibits moderate solubility in organic solvents and limited water solubility.

What is 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde used for?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its imidazole structure makes it valuable for developing antifungal agents, pharmaceuticals, and agrochemicals. The compound serves as a building block in organic synthesis, particularly in the production of more complex imidazole-based molecules used in medicinal chemistry and specialty chemical applications.

How to handle 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde safely?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde requires careful handling due to its skin sensitizing properties (Skin Sens. 1 classification). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and ensure emergency washing facilities are readily available during handling operations.

How to store 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde correctly?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Due to the aldehyde functional group, avoid storage near strong oxidizing agents and bases. Store in original containers with proper labeling, ensuring compliance with local chemical storage regulations and maintaining an appropriate inventory system.

What to do in case of contact with 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde?

Skin contact with 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde requires immediate action due to its sensitizing properties. Remove contaminated clothing and wash affected skin thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes. If inhaled, move to fresh air. Seek medical attention if irritation persists or allergic reactions develop. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde appropriately?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde must be disposed of according to local and national hazardous waste regulations due to its classification as aquatic chronic 2. Contact licensed waste disposal companies for proper treatment and disposal. Never discharge into drains, soil, or water bodies. Small quantities may require special collection procedures, while larger amounts need professional hazardous waste management with proper documentation and tracking.

How to transport 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and ensure proper shipping papers accompany the shipment. Transport vehicles must comply with ADR requirements, and drivers need appropriate dangerous goods training and certification.

Is 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde subject to specific regulations?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is subject to standard EU chemical regulations including REACH registration requirements and CLP classification. It is classified under GHS with pictograms GHS07 and GHS09, requiring appropriate labeling and safety data sheets. The compound is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits and environmental protection measures as specified in local legislation.

Where to buy 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde in Europe?

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is available through OYSI, a specialized European distributor of fine chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance. As a professional chemical distributor, OYSI ensures product quality and handles all necessary import/export documentation for seamless delivery to research institutions, pharmaceutical companies, and chemical manufacturers throughout Europe.

Data Sources

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