ベンジルトリエチルアンモニウムクロリド

Benzyl triethylammonium chloride

HCID 66133
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基本情報

CAS
207124-62-7
標準SMILES
CC[N+](CC)(CC)Cc1ccccc1.[Cl-]
InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M
分子式
C13H22N.Cl
平均分子量
227.77 g/mol

名称と識別子

優先名称
Benzyl triethylammonium chloride
IUPAC
benzyl(triethyl)azanium chloride
現地名
ベンジルトリエチルアンモニウムクロリド
英語名
Benzyltriethylammonium chloride
分子式
C13H22ClN
分子量
227.77

名称と別名

Benzyl triethylammonium chlorideRefChem:119011Benzyltriethylammonium chloride56-37-1BenzyltriethylammoniumChlorideTriethylbenzylammonium chlorideBenzyl triethyl ammonium chlorideTEBACN-benzyl-N,N-diethylethanaminium chlorideTEBABenzenemethanaminium, N,N,N-triethyl-, chloridebenzyltriethylazanium chloride
名称をさらに表示
ベンジルトリエチルアンモニウムクロリドベンジルトリエチルアミニウム·クロリドトリエチルベンジルアミニウム·クロリドベンジルトリエチルアンモニウム·クロリドトリエチルベンジルアンモニウムクロリドトリエチル(ベンジル)アミニウム·クロリドN,N,N-トリエチルベンゼンメタンアミニウム·クロリド化ベンジルトリエチルアモニウムベンジルトリエチルアンモニウムクロライドベンジルトリエチルアンモニウムクロライド 塩化物 アンモニウム塩塩化ベンジルトリエチルアンモニウム 塩化物塩化ベンジルトリエチルアンモニウムベンジルトリエチルアンモニウム＝クロリドBTABTMACBenzyltriethylammoniumchloridTRIMETHYLBENZYLAMMONIUM CHLORIDEBenzyl triethylamine chloride
BTEACAmmonium, benzyltriethyl-, chlorideMFCD00011824benzyltriethyl ammonium chloridebenzyl(triethyl)azanium;chlorideDTXSID9021710N,N,N-Triethylbenzenemethanaminium chlorideN-BENZYL-N,N,N-TRIETHYLAMMONIUM CHLORIDE

データベース識別子

CAS
207124-62-7、56-37-1
PubChem CID
66133
DTXSID
DTXSID9021710
UNII
46WDQ3ADML
EC Number
200-270-1、621-124-7

物性

構造計算による物性

極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
5
重原子数
15

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quaternary Amines
CosmeticsAntistatic
Physical Description · 2 件

Dry Powder; Liquid

White crystals; [MSDSonline]

物理化学的性質

融点
190 · 190-192 °C (dec.) (lit.)
沸点
366.11 °C · 366.11°C (rough estimate)
比重(密度)
1.08 g/mL · 1.08 g/mL at 25 °C
屈折率
20 · n20/D 1.479
闪点
100 °C · >100°C
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性white to light yellow crystal powder. soluble in water, aqueous solutions conduct electricity. It is hydrochloride salt of benzyltriethylammonium which acts as a phase-transfer catalyst in chemical reactions.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.8% (3 of 375) of reports.

Warning

H302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 375 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)

Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17283

Benzyltriethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline] See Lauryl dimethyl benzyl ammonium chloride.
Hazard Classes and Categories · 2 件

Acute Tox. 4 (82.7%)

Skin Irrit. 2 (100%)

安全データ

F
3
wgk
3
tsca
TSCA listed
rtecs
BO8400000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 orally in Rabbit: 2219 mg/kg

化学と産業

用途と製造

U.S. Production2023: 124,660 lb
Industry UsesOther
Use ClassificationCosmetics -> Antistatic
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1): ACTIVE

応用分野 · 3 件

用途相間移動触媒、4級アンモニウム陽イオン活性剤。

説明Benzyltrimethylammonium chloride is hygroscopic and soluble in water, ethanol, and butanol and slightly soluble in butyl phthalate and tributyl phosphate. It is widely used as a solvent for cellulose, a gelling inhibitor in polyester resins, a chemical intermediate, a paint dispersant, and an acrylic dyeing agent. It is also used in plant growth regulator compositions and synthetic processes.

使用Benzyltriethylammonium chloride is used as a catalyst in the preparation of 2-phenylbutyronitrile from phenyl acetonitrile. It is involved in the Knoevenagel condensation of carbonyl compounds with active methylene compounds to give olefinic products. It acts as a phase transfer catalyst used in the alkylation reaction. It reacts with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.

調製方法 · 1 件

製造方法Benzyltriethylammonium chloride synthesis: Add benzyl chloride, triethylamine and acetone into the reaction pot, and reflux at 63-64°C for 8 hours. Slowly lowered to 15°C, filtered, and the filter cake was washed with acetone and dried to obtain benzyltriethylammonium chloride. Yield 68.9%.

上流・下流製品情報

下流製品

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