2,4,6-Cycloheptatriene-1-carbonitrile
2,4,6-Cycloheptatriene-1-carbonitrile (CAS: 13612-59-4), with a molecular weight of 117.15 g/mol and the empirical formula C8H7N, is a notable organic building block. It finds utility in advanced chemical synthesis, particularly as a model for electron paramagnetic resonance (EPR) studies and investigations into intramolecular proton transfer. Its applications extend to the generation of complex heterocyclic compounds like dihydroazocines and hydrooxocins.
- Synonyms
- 13612-59-4C8H7N
EPR and Proton Transfer Studies
This compound serves as a valuable model for studying electron paramagnetic resonance (EPR) phenomena and intramolecular proton transfer mechanisms associated with cycloheptatriene radicals and anions.
Heterocyclic Compound Synthesis
It is employed in organic synthesis for the preparation of specific heterocyclic structures, including dihydroazocines and hydrooxocins.
Organic Building Block
As a functionalised cycloheptatriene derivative, it acts as a versatile building block in various complex organic synthesis pathways.
| Molecular weight | 117.15 |
|---|---|
| Empirical formula | C8H7N |
| Assay | 95% |
| Boiling point | 51-53 °C/1.5 mmHg(lit.) |
| Density | 1.017 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.533(lit.) |
| Application | Useful model for EPR1 and intramolecular proton transfer studies2 of cycloheptatriene radicals and anions. Can also be used to generate dihydroazocines and hydrooxocins.3 |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H332Harmful if inhaled
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 85 °C / 185 °F |
| Transport (UN / ADR) | NA 1993 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22 |
| Safety statements (S) | 36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 2,4,6-Cycloheptatriene-1-carbonitrile used for?
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2,4,6-Cycloheptatriene-1-carbonitrile is used as a model compound for EPR and intramolecular proton transfer studies, and for the synthesis of dihydroazocines and hydrooxocins.
What is the CAS number and formula for 2,4,6-Cycloheptatriene-1-carbonitrile?
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The CAS number is 13612-59-4 and the empirical formula is C8H7N.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 2,4,6-Cycloheptatriene-1-carbonitrile at a minimum assay of 95%. This product is suitable for research and technical applications; TSS does not represent it as USP, BP, or EP grade.
How should 2,4,6-Cycloheptatriene-1-carbonitrile be handled?
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2,4,6-Cycloheptatriene-1-carbonitrile is harmful if swallowed, in contact with skin, or if inhaled (H302-H312-H332). Appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, should be used. Handle in a well-ventilated area.
Is 2,4,6-Cycloheptatriene-1-carbonitrile a controlled substance?
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The provided data does not indicate that 2,4,6-Cycloheptatriene-1-carbonitrile is a controlled substance.
How is 2,4,6-Cycloheptatriene-1-carbonitrile shipped and exported?
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2,4,6-Cycloheptatriene-1-carbonitrile is shipped according to regulations, with relevant hazard information including NA 1993 / PGIII. TSS is an experienced global exporter of fine chemicals.
How can I request a sample or quote for 2,4,6-Cycloheptatriene-1-carbonitrile?
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Please use the contact form or contact our sales team directly to request a sample or obtain a quotation for 2,4,6-Cycloheptatriene-1-carbonitrile.
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