2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol

C15H18ClN3O

CAS94361-06-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol

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Identification

CAS Number
94361-06-5
UN Number
3077
Index Number
650-032-00-X
PubChem CID
86132

Physical-chemical properties

Molecular Formula
C15H18ClN3O
Molar Mass
291.77 g/mol
IUPAC Name
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Chemical Identifiers

InChI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
InChI Key
UFNOUKDBUJZYDE-UHFFFAOYSA-N

Overview

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CAS 94361-06-5) is a specialized triazole-containing organic compound with antifungal properties and complex molecular structure. This tertiary alcohol derivative features a distinctive molecular architecture combining a chlorinated phenyl ring, a cyclopropyl group, and a triazole heterocycle within a single framework. With a molecular formula of C15H18ClN3O and molecular weight of 291.77 g/mol, this compound represents an important class of synthetic organic intermediates used primarily in agricultural and pharmaceutical applications. The presence of the 1,2,4-triazole moiety is particularly significant, as this structural feature is commonly associated with potent antifungal activity and enhanced biological stability. The compound exhibits significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 3), and specific target organ toxicity with repeated exposure (STOT RE 2). Environmental hazard classifications include both acute and chronic aquatic toxicity, requiring careful handling and disposal protocols. The associated GHS pictograms (GHS08, GHS06, GHS09) and danger signal word emphasize the need for appropriate personal protective equipment and specialized storage conditions. Transport classification under ADR Class 9 indicates it falls under miscellaneous dangerous substances requiring specific shipping protocols. Industrial applications primarily focus on fungicide development, pharmaceutical intermediate synthesis, and specialized chemical research. The triazole functionality makes it valuable for developing compounds with enhanced bioavailability and metabolic stability, similar to applications seen with other complex organic molecules like 2-(trichloromethylsulfanyl)isoindole-1,3-dione in agricultural chemistry. OYSI maintains reliable supply chains for this specialized compound, supporting European industrial customers with technical-grade material and comprehensive safety documentation.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 3; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameCyproconazol (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is an organic chemical compound with CAS number 94361-06-5 and molecular formula C15H18ClN3O. This substance has a molecular weight of 291.77 g/mol and belongs to the triazole family of compounds. It is classified as a hazardous substance with reproductive toxicity, acute toxicity, and environmental hazard properties, requiring careful handling and storage protocols.

What are the physicochemical properties of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular formula C15H18ClN3O with a molecular weight of 291.77 g/mol. The compound contains a chlorinated phenyl ring, a cyclopropyl group, and a triazole moiety connected to a butanol backbone. Its complex structure includes aromatic and aliphatic components with nitrogen-containing heterocycles. Specific physical properties such as melting point, boiling point, and solubility data would require experimental determination or detailed technical documentation.

What is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol used for?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is primarily used as an intermediate in pharmaceutical and chemical synthesis. The triazole structure suggests potential applications in fungicide development or as a building block for bioactive compounds. Its specific applications depend on the end-use industry requirements, including pharmaceutical research, agrochemical development, or specialized chemical manufacturing processes where triazole-containing compounds are required.

How to handle 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol safely?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol requires strict safety measures due to its Repr. 1B, Acute Tox. 3, and STOT RE 2 classifications. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid skin contact, inhalation, and ingestion. Work in fume hoods when possible and ensure emergency procedures are in place. The substance displays GHS08, GHS06, and GHS09 pictograms indicating serious health and environmental hazards.

How to store 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol correctly?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to CLP regulations. Due to its reproductive toxicity and environmental hazards, implement restricted access protocols and secondary containment measures. Store separately from oxidizing agents, strong acids, and bases. Maintain inventory records and ensure compliance with local chemical storage regulations for hazardous substances.

What to do in case of contact with 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?

Immediate medical attention is required for any exposure to 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol due to its acute toxicity classification. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Never induce vomiting if ingested. Contact poison control centers and provide safety data sheet information to medical personnel.

How to dispose of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol appropriately?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol requires disposal as hazardous waste through licensed waste management facilities due to its toxicity and environmental hazard classifications. Never dispose of in regular waste streams or sewerage systems. Collect waste in appropriate containers, properly labeled and segregated from other chemicals. Consult local environmental authorities for specific disposal requirements and approved waste codes. Maintain disposal records for regulatory compliance and environmental protection.

How to transport 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. Use UN-approved packaging with proper hazard labels and documentation. Transport vehicles must comply with ADR regulations including appropriate placarding and emergency information. Drivers require hazardous materials training certification. Ensure proper securing of packages and availability of emergency response information during transit. Notify relevant authorities as required by transportation regulations.

Is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol subject to specific regulations?

2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol is subject to REACH registration requirements for European market access and must comply with CLP classification and labeling regulations. While not currently identified as an SVHC, its Repr. 1B classification may trigger authorization requirements under REACH. Companies must maintain safety data sheets, implement risk management measures, and comply with occupational exposure limits. Additional restrictions may apply depending on intended use and national regulations.

Where to buy 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol in Europe?

OYSI is a reliable European distributor offering 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol to qualified industrial customers. As a specialized chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this controlled substance. Professional buyers can contact OYSI directly for availability, technical specifications, and ordering information. Due to the substance's hazardous classification, purchases typically require end-use declarations and compliance with applicable chemical regulations.

Services for 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol

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2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol 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.