염화트리옥틸메틸암모늄
Trioctylmethylammonium chloride
기본 정보
- CAS
5137-55-3- 표준 SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]- InChIKey
XKBGEWXEAPTVCK-UHFFFAOYSA-M- 분자식
- C25H54N.Cl
- 평균 분자량
- 404.2 g/mol
- 단동위원소 질량
- 403.3944784
개요
Methyltrioctylammonium chloride is an organic chloride salt having methyltrioctylammonium as the cation. It has a role as a phase-transfer catalyst. It is a quaternary ammonium salt and an organic chloride salt. It contains a methyltrioctylammonium.
이름 및 식별자
- 우선 이름
- Trioctylmethylammonium chloride
- IUPAC
- methyl(trioctyl)azanium chloride
- 현지명
- 염화트리옥틸메틸암모늄
- 영어명
- Methyl trioctyl ammonium chloride
- 분자식
- C25H54N.Cl
- 분자량
- 404.16
이름 및 동의어
5137-55-3Methyltrioctylammonium chlorideTrioctylmethylammonium chlorideTOMACCapriquatMethyltricaprylylammonium chlorideTricaprylylmethylammonium chlorideTricaprylmethylammonium chlorideTrioctylmonomethylammonium chlorideN-Methyl-N,N-dioctyl-1-octanaminium chlorideDTXSID1044487AMMONIUM, METHYLTRIOCTYL-, CHLORIDE
이름 더 보기
N-메틸-N,N-다이옥틸-1-옥탄아미늄염화물엘리컷336염화트리옥틸메틸암모늄N-메틸-N,N-다이옥틸-1-옥탄아미늄염화물ALIQUAT 336aliquatADOGEN 464METHYLTRI-N-OCTYLAMMONIUM CHLORIDE
Tricaprylyl methyl ammonium chlorideAliquat 12807Q8S2MJ6ANSC-61369TOMAC 75DTXCID9024487CHEBI:75286TOMAC salt
데이터베이스 식별자
- CAS
5137-55-3- PubChem CID
- 21218
- DTXSID
DTXSID1044487- ChEMBL
CHEMBL3188519- ChEBI
CHEBI:75286- UNII
- 07Q8S2MJ6A
- EC Number
- 225-896-2
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 220
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Density0.884 @25 °C
Boiling Point225 °C @760 [mm Hg]
Melting Point-20 °C
Physical DescriptionYellow viscous liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -20 °C · -20°C
- 끓는 점
- 240 °C · 240°C
- 밀도
- 0.884 g/mL · 0.884 g/mL at 25 °C(lit.)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 20 · n20/D 1.4665(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- soluble in Chloroform, Hexanes
- 물리적 상태
- 점성 액체
- 색상
- 무색~연한 오렌지색
- 냄새
- 암모니아성
- 수용성
- 부분적으로 불용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Octanaminium, N-methyl-N,N-dioctyl-, chloride
REACH registered substance: Methyltrioctylammonium chloride (EC: 225-896-2)
Methyltrioctylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A severe skin irritant; Causes muscle weakness in intraperitoneal lethal-dose studies of guinea pigs, mice, and rats; Causes diarrhea and respiratory depression in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (79.6%)
안전 및 보호
Protective Action Criteria (PAC)
0.67 [mg/m3]
7.4 [mg/m3]
44 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
화학 및 산업
용도 및 제조
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in high performance liquid chromatography for the separation of tRNA. [ChemIDplus]
General Manufacturing Information1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1): ACTIVE
응용 분야
용도Methyltrioctylammonium chloride can be used:As a catalyst in the synthesis of acridine dione derivatives from aromatic aldehyde, dimedone and amines under ultrasonic irradiations.As a catalyst in the synthesis of extended π-systems using aromatic aldehydes and methyldiazines.As a component of a catalytic system used in the Suzuki-Miyaura cross-coupling reaction of a variety of aryl and heteroaryl chlorides in H2O.
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