Description
Trifluoro(pyrrolidin-1-ium-1-ylmethyl)borate (CAS: 1686150-29-7) is a high-purity borate salt with the molecular formula C5H11BF3N, designed for advanced research and industrial applications. This compound features a pyrrolidinium-1-ylmethyl group bonded to a trifluoroborate anion, offering unique reactivity and stability in synthetic chemistry. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for electrochemical, pharmaceutical, and materials science applications. The product is packaged under inert gas to maintain stability and is stored at 2-8°C for prolonged shelf life. Ideal for use as an electrolyte additive, organocatalyst, or precursor in boron-containing molecular frameworks.
Properties
- CAS Number: 1686150-29-7
- Complexity: 108
- IUPAC Name: trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide
- InChI: InChI=1S/C5H10BF3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2/q-1/p+1
- InChI Key: IYJIUAKWLMMDRX-UHFFFAOYSA-O
- Exact Mass: 153.0936640
- Molecular Formula: C5H11BF3N
- Molecular Weight: 152.96
- SMILES: [B-](C[NH+]1CCCC1)(F)(F)F
- Topological: 4.4
- Monoisotopic Mass: 153.0936640
- Synonyms: Trifluoro(pyrrolidin-1-ium-1-ylmethyl)borate, 1686150-29-7, TRIFLUORO(PYRROLIDIN-1-IUM-1-YLMETHYL)BORANUIDE, MFCD20134172, (Pyrrolidinium-1-ylmethyl)trifluoroborate internal salt, trifluoro[(pyrrolidin-1-ium-1-yl)methyl]boranuide, SCHEMBL23534355, AKOS030524127, DS-19551, SY279662, CS-0160272, C73239, (Pyrrolidinium-1-ylmethyl)trifluoroborate, internal salt
Trifluoro(pyrrolidin-1-ium-1-ylmethyl)borate is primarily utilized as an electrolyte additive in lithium-ion batteries to enhance thermal stability and cycling performance. Its pyrrolidinium moiety also enables applications in asymmetric synthesis as a chiral auxiliary or ionic liquid catalyst. Researchers employ it in the development of boron-doped polymers for optoelectronic devices due to its robust electrochemical properties.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
- STOT SE 3 (100%)
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