1-hydroxybenzotriazole;hydrate

C6H7N3O2

CAS123333-53-9
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
Danger

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Identification

CAS Number
123333-53-9
EC Number
219-989-7
UN Number
3474
Index Number
613-285-00-7
PubChem CID
2796029

Physical-chemical properties

Molecular Formula
C6H7N3O2
Molar Mass
153.14 g/mol
IUPAC Name
1-hydroxybenzotriazole;hydrate

Chemical Identifiers

InChI
InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
InChI Key
PJUPKRYGDFTMTM-UHFFFAOYSA-N

Overview

1-Hydroxybenzotriazole hydrate (CAS 123333-53-9) is a heterocyclic organic compound with explosive properties and strong coupling agent characteristics. This benzotriazole derivative represents an important class of nitrogen-containing heterocyclic compounds widely utilized in organic synthesis and industrial applications. The hydrated form of 1-hydroxybenzotriazole exhibits enhanced stability compared to its anhydrous counterpart, making it more suitable for storage and handling in industrial environments. With a molecular formula of C6H7N3O2 and molecular weight of 153.14 g/mol, this white crystalline compound demonstrates unique reactivity patterns that have established its significance in chemical manufacturing processes. The compound's classification as an explosive material (Class 1.3) requires stringent safety protocols during handling, storage, and transportation. The GHS01 pictogram and "Danger" signal word emphasize the need for specialized equipment and trained personnel when working with this substance. Its ADR classification as Class 4.1 (flammable solids) further reinforces the importance of proper safety measures and compliance with transportation regulations. In industrial applications, 1-hydroxybenzotriazole hydrate serves primarily as a coupling reagent in peptide synthesis, facilitating the formation of amide bonds with high efficiency and minimal side reactions. It also functions as an effective corrosion inhibitor for metals, particularly copper and its alloys, and finds applications in pharmaceutical intermediate synthesis. Unlike related compounds such as 4-nitrosophenol, which serves different industrial purposes, this benzotriazole derivative offers specific advantages in coupling reactions due to its unique electronic properties. OYSI provides reliable access to high-quality 1-hydroxybenzotriazole hydrate for European industrial customers, ensuring consistent supply and technical support for specialized chemical applications.

Safety & Classification

Danger
Classification:

Expl. 1.3

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

Transport (ADR)

UN Number3474
ADR Class4.1
Packing GroupI
Tunnel CodeB
Proper Shipping Name1-Hydroxybenzotriazol-Monohydrat
Marine PollutantNo

Frequently Asked Questions

What is 1-hydroxybenzotriazole hydrate?

1-hydroxybenzotriazole hydrate is an organic chemical compound with the molecular formula C6H7N3O2 and CAS number 123333-53-9. It belongs to the benzotriazole family and exists as a hydrated form, meaning it contains water molecules in its crystal structure. With a molecular weight of 153.14 g/mol, this compound is classified as an explosive substance (Class 1.3) and requires careful handling due to its hazardous nature.

What are the physicochemical properties of 1-hydroxybenzotriazole hydrate?

1-hydroxybenzotriazole hydrate is a solid compound at room temperature with the molecular formula C6H7N3O2. As a hydrate, it contains incorporated water molecules in its crystalline structure. The compound has a molecular weight of 153.14 g/mol and exhibits explosive properties classified as Expl. 1.3. Its benzotriazole structure gives it specific chemical reactivity and stability characteristics typical of nitrogen-containing heterocyclic compounds.

What is 1-hydroxybenzotriazole hydrate used for?

1-hydroxybenzotriazole hydrate is primarily used as a coupling reagent in peptide synthesis and organic chemistry applications. It serves as an activating agent for carboxylic acids in amide bond formation, particularly in pharmaceutical and biochemical research. The compound is also utilized in various chemical synthesis processes where controlled reactivity and selective coupling reactions are required. Its applications are mainly found in laboratory and industrial chemical synthesis operations.

How to handle 1-hydroxybenzotriazole hydrate safely?

1-hydroxybenzotriazole hydrate requires extreme caution due to its explosive classification (Expl. 1.3) and danger signal word. Personnel must wear appropriate personal protective equipment including safety glasses, protective gloves, and protective clothing. Work should be conducted in well-ventilated areas away from ignition sources, heat, and friction. Avoid shock, impact, and static electricity. Only trained personnel should handle this material, following strict safety protocols for explosive substances.

How to store 1-hydroxybenzotriazole hydrate correctly?

1-hydroxybenzotriazole hydrate must be stored in compliance with explosive material regulations due to its Expl. 1.3 classification. Storage areas should be cool, dry, and well-ventilated, away from heat sources, ignition sources, and incompatible materials. Containers must be kept tightly closed and protected from shock and friction. Storage facilities should meet regulatory requirements for explosive substances, with appropriate safety measures including temperature control and restricted access to authorized personnel only.

What to do in case of contact with 1-hydroxybenzotriazole hydrate?

In case of skin contact with 1-hydroxybenzotriazole hydrate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of 1-hydroxybenzotriazole hydrate properly?

1-hydroxybenzotriazole hydrate must be disposed of according to local, national, and international regulations for explosive materials. The compound cannot be disposed of as regular chemical waste due to its Expl. 1.3 classification. Disposal should only be performed by licensed waste management companies experienced in handling explosive substances. Contact specialized hazardous waste disposal services and follow all regulatory requirements. Never attempt to dispose of this material through standard waste channels.

How to transport 1-hydroxybenzotriazole hydrate?

1-hydroxybenzotriazole hydrate is classified under ADR Class 4.1 (flammable solids), Packing Group I, indicating high danger level for transport. Transportation must comply with dangerous goods regulations including proper packaging, labeling with GHS01 pictogram, and documentation. Only certified carriers experienced in dangerous goods transport should handle shipments. Special precautions against shock, friction, and heat exposure are mandatory during transport. All transport documentation must clearly identify the explosive hazard classification.

Is 1-hydroxybenzotriazole hydrate subject to specific regulations?

1-hydroxybenzotriazole hydrate is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification as an explosive substance. It is not listed as a Substance of Very High Concern (SVHC). The compound must comply with explosive materials regulations, dangerous goods transport laws, and workplace safety directives. Special permits may be required for handling, storage, and transport. Users must ensure compliance with all applicable chemical safety and explosive material regulations.

Where to buy 1-hydroxybenzotriazole hydrate in Europe?

1-hydroxybenzotriazole hydrate is available through OYSI, a specialized European distributor of technical chemical products. As an explosive substance requiring specialized handling and regulatory compliance, it is essential to source this material from experienced suppliers who can provide proper documentation, safety data sheets, and ensure compliant packaging and transport. OYSI offers technical support and regulatory guidance for customers requiring this specialized chemical compound for legitimate industrial and research applications.

Data Sources

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