Benzyltrimethylammonium tribromide supplier

Name
Benzyltrimethylammonium tribromide
EINECS
CAS No. 111865-47-5
Density
Solubility
Melting Point 99-101 °C(lit.)
Formula C₁₀H₁₆Br₃N
Boiling Point
Molecular Weight 389.97
Flash Point
Transport Information UN 1759
Appearance Yellow to orange crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenemethanaminium,N,N,N-trimethyl-, (tribromide) (9CI);Bromide (Br31-),N,N,N-trimethylbenzenemethanaminium (9CI);BTMABr3;Benzyltrimethylammoniumtribromide;
PSA 0.00000
LogP 0.58800

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

Product Name

Benzyltrimethylammonium tribromide

Benzyltrimethylammonium tribromide Specification

Related Products

Hot Products