N-(4-Trifloromethybenzyl)cinchoninum bromide supplier

Name
N-(4-Trifloromethybenzyl)cinchoninum bromide
EINECS
CAS No. 95088-20-3
Article Data3
CAS DataBase
Density
Solubility
Melting Point 245 °C (dec.)(lit.)
Formula C₂₇H₂₈BrF₃N₂O
Boiling Point
Molecular Weight 533.42
Flash Point
Transport Information
Appearance
Safety 22-24/25-26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-(4-Trifluoromethylbenzyl)cinchoniniumbromide;(9S)-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium-9-ol bromide;(3α,9S)-9-Hydroxy-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium bromide;
PSA 33.12000
LogP 2.86120

N-(4-Trifloromethybenzyl)cinchoninum bromide Specification

The N-(4-Trifloromethybenzyl)cinchoninum bromide, with the CAS registry number 95088-20-3, has the systematic name of (9S)-1-[4-(trifluoromethyl)benzyl]cinchonan-1-ium-9-ol bromide. It belongs to the following product categories: Phase Transfer Reaction; Asymmetric Synthesis; Chiral Catalysts, Ligands, and Reagents. And the molecular formula of the chemical is C₂₇H₂₈BrF₃N₂O.

The characteristics of N-(4-Trifloromethybenzyl)cinchoninum bromide are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 33.12 Å².

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing to avoid contacting skin and eyes, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].FC(F)(F)c1ccc(cc1)C[N@+]54CC[C@@H](C[C@@H]4[C@@H](O)c2ccnc3ccccc23)C(C=C)C5
(2)InChI: InChI=1/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
(3)InChIKey: LOCWWLLFHKDFLF-GCZHNSSGBW

Product Name

N-(4-Trifloromethybenzyl)cinchoninum bromide

N-(4-Trifloromethybenzyl)cinchoninum bromide Specification

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