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 heterocyclic compound belongs to the imidazole family, characterized by its five-membered ring containing two nitrogen atoms. With the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol, this chemical features a distinctive structure combining 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 exhibits notable chemical reactivity due to its aldehyde functional group, making it valuable as an intermediate in organic synthesis. Its imidazole core structure is particularly significant in pharmaceutical and agrochemical applications, similar to other specialized compounds like 2,4-dihydroxy-N-(2-methoxyphenyl)benzamide, which also serves synthetic chemistry applications. Safety considerations are paramount when handling this material. Classified under GHS07 and GHS09 pictograms with "Warning" signal word, it presents skin sensitization hazards (Skin Sens. 1) and chronic aquatic toxicity (Aquatic Chronic 2). The ADR Class 9 classification requires appropriate transportation protocols for miscellaneous dangerous substances. Primary industrial applications include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications where imidazole derivatives are essential building blocks. The compound's unique substitution pattern makes it particularly valuable for developing bioactive molecules and complex organic frameworks. OYSI maintains reliable supply chains for 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde, supporting European chemical manufacturers and research institutions 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 chain, chlorine atom, and aldehyde functional group. With a molecular weight of 186.64 g/mol, it is classified as a skin sensitizer and poses chronic aquatic toxicity concerns, requiring careful handling in industrial applications.

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

2-butyl-5-chloro-1H-imidazole-4-carbaldehyde is a chemical compound with molecular formula C8H11ClN2O and molecular weight 186.64 g/mol. As an imidazole derivative containing both chlorine and aldehyde functional groups, it exhibits specific reactivity patterns. The presence of the butyl substituent influences its solubility characteristics. Detailed physical properties such as melting point, boiling point, and exact appearance should be confirmed with supplier specifications.

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 and fine chemical synthesis. Its imidazole structure makes it valuable for developing bioactive compounds, while the aldehyde functionality allows for further chemical modifications. The compound serves as a building block in medicinal chemistry research and may be utilized in the synthesis of antifungal agents or other therapeutic molecules requiring imidazole scaffolds.

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 sensitization properties (Skin Sens. 1). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats. Ensure adequate ventilation to prevent inhalation exposure. Avoid direct skin and eye contact. Work in a fume hood when possible and wash hands thoroughly after handling. The GHS07 pictogram indicates health hazards requiring standard laboratory safety protocols.

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 place away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers and bases. Due to its aldehyde functionality, avoid exposure to reducing agents. Maintain storage areas with adequate ventilation and ensure proper labeling according to GHS requirements including warning signals.

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

Immediate action is required if contact occurs with 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde due to its skin sensitizing properties. For skin contact, remove contaminated clothing and wash affected area with plenty of soap and water for at least 15 minutes. In case of eye contact, rinse thoroughly with water for several minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if sensitization symptoms develop.

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 European waste regulations due to its environmental classification (Aquatic Chronic 2). Contact licensed waste disposal companies specialized in chemical waste management. Do not discharge into sewers, waterways, or soil. Small laboratory quantities may require special collection procedures. Ensure proper waste classification and documentation. Consider recovery or recycling options where technically and economically feasible before disposal.

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 indicates it poses relatively low transport risk but still requires proper packaging, labeling, and documentation. Use UN-approved packaging suitable for Class 9 materials. Ensure proper shipping papers and emergency response information accompany shipments. Transport vehicles must comply with ADR regulations for miscellaneous dangerous goods.

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 and CLP. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to CLP regulation with appropriate hazard pictograms (GHS07, GHS09) and warning signal. Safety data sheets must be provided to downstream users, and standard registration requirements apply for quantities above REACH thresholds.

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 technical chemicals. OYSI provides reliable supply chains across Europe with proper regulatory compliance and documentation. As a professional chemical distributor, OYSI ensures products meet quality standards and provides comprehensive safety data sheets. Contact OYSI directly for availability, specifications, and pricing information for your specific application requirements in pharmaceutical or fine chemical synthesis.

Data Sources

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