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N-(4-Trifluoromethylbenzyl)cinchoninium bromide , CAS No.95088-20-3
Basic Description
Synonyms | 95088-20-3|N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide|(S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide|(2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromet |
Specifications & Purity | ≥95% |
Storage Temp | Store at 2-8°C,Argon charged,Desiccated |
Shipped In | Wet ice |
Product Description | Remainder N-[4-(trifluoromethyl)benzyl]dihydrochoninium bromide. |
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Names and Identifiers
IUPAC Name | (S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide |
INCHI | InChI=1S/C27H28F3N2O.BrH/c1-2-19-17-32(16-18-7-9-21(10-8-18)27(28,29)30)14-12-20(19)15-25(32)26(33)23-11-13-31-24-6-4-3-5-22(23)24;/h2-11,13,19-20,25-26,33H,1,12,14-17H2;1H/q+1;/p-1/t19-,20-,25+,26-,32?;/m0./s1 |
InChi Key | LOCWWLLFHKDFLF-KFGLDPKJSA-M |
Canonical SMILES | C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=C(C=C5)C(F)(F)F.[Br-] |
Isomeric SMILES | C=C[C@H]1C[N+]2(CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=C(C=C5)C(F)(F)F.[Br-] |
WGK Germany | 3 |
PubChem CID | 11421253 |
Molecular Weight | 533.42 |
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Chemical and Physical Properties
Sensitivity | Moisture sensitive. |
Melt Point(°C) | 245° C |
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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 |
RIDADR | NONHforallmodesoftransport |
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