기본 정보
- CAS
5350-41-4- 표준 SMILES
C[N+](C)(C)Cc1ccccc1.[Br-]- InChIKey
UUZYBYIOAZTMGC-UHFFFAOYSA-M- 분자식
- C10H16BrN
- 평균 분자량
- 230.14 g/mol
개요
See also: Benzyltrimethylammonium chloride (annotation moved to).
이름 및 식별자
- 우선 이름
- Benzyltrimethylammonium bromide
- IUPAC
- benzyl(trimethyl)azanium bromide
- 영어명
- Benzyltrimethylammonium bromide
- 분자식
- C10H16BrN
- 분자량
- 230.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5350-41-4- PubChem CID
- 21449
- DTXSID
DTXSID40968236- UNII
- UF55CY4478
- EC Number
- 226-320-2
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 107
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 230 · 230-232 °C (lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 수용성
- 물에 용해됨
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- BRN
- 3917251 · 3917251
- InChI
- InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
- InChIKey
- UUZYBYIOAZTMGC-UHFFFAOYSA-M
- SMILES
- C1(=CC=CC=C1)C[N+](C)(C)C.[Br-]
- NIST
- Benzyltrimethylammonium bromide(5350-41-4)
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (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.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- BO8392000
- ridadr
- UN 2811
- 독성
- LD50 subcutaneous in mouse: 45mg/kg
- HS 번호
- 29239000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- F 고인화성물질
- 3
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
응용 분야
용도Benzyltrimethylammonium 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.
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