Description

Tris(2-cyanoethyl) Borate (CAS No. 126755-67-7) is a high-purity borate ester compound with the molecular formula C₉H₁₂BN₃O₃. This specialty chemical is characterized by its three cyanoethyl functional groups, which enhance its reactivity and utility in advanced synthetic applications. It is commonly employed as a boron source in organic synthesis, polymer chemistry, and materials science due to its excellent stability and controlled release properties. The compound is supplied as a clear to pale-yellow liquid with a purity of ≥95%, ensuring consistent performance in demanding research and industrial processes. Proper storage under inert conditions is recommended to maintain its integrity.

Properties

• CAS Number: 126755-67-7
• Complexity: 268
• IUPAC Name: tris(2-cyanoethyl) borate
• InChI: InChI=1S/C9H12BN3O3/c11-4-1-7-14-10(15-8-2-5-12)16-9-3-6-13/h1-3,7-9H2
• InChI Key: QRJXIXWHPANYDU-UHFFFAOYSA-N
• Exact Mass: 221.0971714
• Molecular Formula: C9H12BN3O3
• Molecular Weight: 221.02
• SMILES: B(OCCC#N)(OCCC#N)OCCC#N
• Topological: 99.1
• Monoisotopic Mass: 221.0971714
• Synonyms: Tris(2-cyanoethyl) Borate, 126755-67-7, 811-149-3, Boric Acid Tris(2-cyanoethyl) Ester, 3-{[bis(2-cyanoethoxy)boranyl]oxy}propanenitrile, (tris(2-cyanoethyl) borate), SCHEMBL15978543, MFCD29089371, T3024, D92650

Application

Tris(2-cyanoethyl) Borate is widely used as a boron precursor in the synthesis of advanced polymers and coordination complexes. Its cyanoethyl groups facilitate cross-linking reactions in polymer networks, making it valuable for creating heat-resistant resins and adhesives. Additionally, it serves as a key intermediate in the preparation of boron-containing nanomaterials and electronic materials. Researchers also utilize it in the development of flame-retardant additives and specialty coatings.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)

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