Benzyl triethylammonium chloride (HCID 66133)

이름 및 식별자

우선 이름: Benzyl triethylammonium chloride
IUPAC: benzyl(triethyl)azanium chloride
현지명: 염화트리에틸벤질암모늄
영어명: Benzyltriethylammonium chloride
분자식: C13H22ClN
분자량: 227.77

이름 및 동의어

Benzyl triethylammonium chlorideRefChem:119011Benzyltriethylammonium chloride56-37-1BenzyltriethylammoniumChlorideTriethylbenzylammonium chlorideBenzyl triethyl ammonium chlorideTEBACN-benzyl-N,N-diethylethanaminium chlorideTEBABenzenemethanaminium, N,N,N-triethyl-, chloridebenzyltriethylazanium chloride

이름 더 보기

벤질트리에틸암모늄염화물염화트리에틸벤질암모늄벤질트리에틸암모늄염화물벤질트라이에틸암모늄클로라이드염화 N,N,N-트라이에틸벤젠메탄아미늄염화 N,N,N-트라이에틸벤젠메탄아미늄 (1:1)염화 벤질트라이에틸암모늄염화 트라이에틸벤질암모늄BTMACBenzyltriethylammoniumchloridTRIMETHYLBENZYLAMMONIUM CHLORIDEBenzyl triethylamine chloride

BTEACAmmonium, benzyltriethyl-, chlorideMFCD00011824benzyltriethyl ammonium chloridebenzyl(triethyl)azanium;chlorideDTXSID9021710N,N,N-Triethylbenzenemethanaminium chlorideN-BENZYL-N,N,N-TRIETHYLAMMONIUM CHLORIDE

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 135

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quaternary Amines

CosmeticsAntistatic

Physical Description · 2건

Dry Powder; Liquid

White crystals; [MSDSonline]

물리화학적 성질

녹는점: 190 · 190-192 °C (dec.) (lit.)
끓는 점: 366.11 °C · 366.11°C (rough estimate)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C
굴절률: 20 · n20/D 1.479
인화점: 100 °C · >100°C
저장 조건: 30 °C · Store below +30°C.
용해도: 2 O: · H2O: 0.1 g/mL, 투명
물리적 상태: 액체
색상: 흰색에서 베이지색
수소이온지수(pH): 6 · 6-8 (100g/l, H2O, 20℃)
수용성: 700 g/L · 700g/L(20℃)
BRN: 3574984 · 3574984
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능: 대전방지제
InChI: 1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey: HTZCNXWZYVXIMZ-UHFFFAOYSA-M
SMILES: [Cl-].CC[N+](CC)(CC)Cc1ccccc1
EPA: Benzyltriethylammonium chloride (56-37-1)

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 4건

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 · 2건

Acute Tox. 4 (82.7%)

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BO8400000
ridadr: UN 2811 6.1/PG 3
독성: LD50 orally in Rabbit: 2219 mg/kg
HS 번호: 29239000
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36-37/39-26 37/39-36/37/39
기존화학 물질: KE-34216
F 고인화성물질: 3
자연 발화 온도: 300 °C
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 124,660 lb

Industry UsesOther

Use ClassificationCosmetics -> Antistatic

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

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

응용 분야 · 3건

용도유기 합성.

개요Benzyltrimethylammonium 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.

용도Benzyltriethylammonium 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.

제조 방법 · 1건

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%.

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상류 원료

하류 제품

공급사50 곳

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