Benzyltrimethylammoniumbromid

TRIMETHYLAMMONIUM BROMIDE · TRIMETHYLBENZYLAMMONIUM BROMIDE · Benzyltrimethylazanium bromide · wv562 · WV 562 · [BzM3N]Br · Benzenemethanaminium, N · Benzyltrimenthylammoniumbromi

https://huagongshe.com/de/chemical/21449

Molekülstruktur von Benzyltrimethylammoniumbromid

Identifikatoren & physikalische Daten

CAS No.	5350-41-4
Summenformel	C10H16BrN
Durchschnittliche Molmasse	230,14 g/mol
SMILES	C[N+](C)(C)Cc1ccccc1.[Br-]
InChIKey	UUZYBYIOAZTMGC-UHFFFAOYSA-M
PubChem CID	21449
EC No.	226-320-2
DTXSID	DTXSID40968236
Lokaler Name	Benzyltrimethylammoniumbromid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	107
Stoffklassen	Nitrogen Compounds -> Quaternary Amines
Dampfdruck	0.00000005 [mmHg]
Physical Description	Off-white hygroscopic solid[Acros Organics MSDS]
Schmelzpunkt	230-232 °C (lit.)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Soluble in water
Aggregatzustand	Crystalline Powder
Farbe	White to off-white
BRN	3917251
InChI	InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H31H/q+1/p-1
InChIKey	UUZYBYIOAZTMGC-UHFFFAOYSA-M
SMILES	C1(=CC=CC=C1)C[N+](C)(C)C.[Br-]
CAS Datenbank	5350-41-4(CAS DataBase Reference)
NIST chemische Informationen	Benzyltrimethylammonium bromide(5350-41-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenübersicht	Subcutaneous LD50 (mouse) = 45 mg/kg[RTECS] An irritantHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS]
Hazard Classes and Categories	Acute Tox. 4 (11.4%)
F	3
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811
Zollcode	29239000
RTECS-Nr.	BO8392000
R-Sätze (R)	36/37/38
Toxizität	LD50 subcutaneous in mouse: 45mg/kg
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-36-37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

Benzyltrimethylammonium bromide (BTMAB) can be used as a starting material for the synthesis of benzyltrimethylammonium fluorochromate (BTMAFC) by treating with an aqueous solution of CrO3 and HF. BTMAFC can be utilized as an efficient oxidizing reagent for the selective oxidation of oximes into ketones or aldehydes, and primary, secondary, allylic as well as benzylic alcohols to their corresponding carbonyl compounds.BTMAB can be also used as: An oxidizing reagent for the conversion of monosubstituted benzylamines into corresponding aldimines in the presence of DMSO. A benzylating reagent for the benzylation of aryl amide C-H bond using Ni catalyst.