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Benzyltrimethylammonium tribromide

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Name

Benzyltrimethylammonium tribromide

EINECS N/A
CAS No. 111865-47-5 Density N/A
PSA 0.00000 LogP 0.58800
Solubility N/A Melting Point 99-101 °C(lit.)
Formula C10H16Br3N Boiling Point N/A
Molecular Weight 389.97 Flash Point N/A
Transport Information UN 1759 Appearance Yellow to orange crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 111865-47-5 (Benzyltrimethylammonium tribromide) Hazard Symbols IrritantXi
Synonyms

Benzenemethanaminium,N,N,N-trimethyl-, (tribromide) (9CI);Bromide (Br31-),N,N,N-trimethylbenzenemethanaminium (9CI);BTMABr3;Benzyltrimethylammoniumtribromide;

 

Benzyltrimethylammonium tribromide Specification

The Benzyltrimethylammonium tribromide, with the CAS registry number 111865-47-5, is also called Benzyltrimethylammonium bromide dibromide. It is a kind of yellow to orange crystalline powder, and belongs to the following product categories: Amines and Anilines; Ammonium Polyhalides, etc. (Quaternary); Bromination; Halogenation; Quaternary Ammonium Compounds; Synthetic Organic Chemistry. And the molecular formula of the chemical is C10H16Br3N.

The characteristics of Benzyltrimethylammonium tribromide are as followings: (1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 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, 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[Br-]Br.c1ccccc1C[N+](C)(C)C
(2)InChI: InChI=1/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
(3)InChIKey: OQESKQAHRXOSMS-UHFFFAOYAQ

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