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1-Benzyl-3-methylimidazolium tetrafluoroborate - 97.0% (HPLC), high purity , CAS No.500996-04-3
Basic Description
Synonyms | B5725 | 1-Benzyl-3-methylimidazolium tetrafluoroborate | 3-Benzyl-1-methyl-1H-imidazolium tetrafluoroborate | AB91436 | 1-Benzyl-3-methylimidazolium tetrafluoroborate, >=97.0% (HPLC) | MFCD07784449 | 1-benzyl-3-methylimidazol-3-ium;tetrafluoroborate | SCH |
Specifications & Purity | ≥97%(HPLC) |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
Pubchem Sid | 488197898 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197898 |
IUPAC Name | 1-benzyl-3-methylimidazol-3-ium;tetrafluoroborate |
INCHI | InChI=1S/C11H13N2.BF4/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)5/h2-8,10H,9H2,1H3;/q+1;-1 |
InChi Key | QULDEUUWXMCUFO-UHFFFAOYSA-N |
Canonical SMILES | [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC2=CC=CC=C2 |
Isomeric SMILES | [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC2=CC=CC=C2 |
WGK Germany | 3 |
PubChem CID | 12138923 |
Molecular Weight | 260.04 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in Methanol |
Sensitivity | Hygroscopic |
Melt Point(°C) | 62 °C |
Molecular Weight | 260.040 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 2 |
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Exact Mass | 260.111 Da |
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Monoisotopic Mass | 260.111 Da |
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Topological Polar Surface Area | 8.800 Ų |
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Heavy Atom Count | 18 |
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Formal Charge | 0 |
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Complexity | 171.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 2 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 3 |
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