基本情報
- CAS
5350-41-4- 標準SMILES
C[N+](C)(C)Cc1ccccc1.[Br-]- InChIKey
UUZYBYIOAZTMGC-UHFFFAOYSA-M- 分子式
- C10H16BrN
- 平均分子量
- 230.14 g/mol
概要
See also: Benzyltrimethylammonium chloride (annotation moved to).
名称と識別子
- 優先名称
- Benzyltrimethylammonium bromide
- IUPAC
- benzyl(trimethyl)azanium bromide
- 現地名
- ベンジルトリメチルアンモニウムブロミド
- 英語名
- Benzyltrimethylammonium bromide
- 分子式
- C10H16BrN
- 分子量
- 230.14
名称と別名
BENZYLTRIMETHYLAMMONIUM BROMIDE5350-41-4Trimethylbenzylammonium bromideAmmonium, benzyltrimethyl-, bromideAmmonium, (benzyltrimethyl)-, bromideBenzenemethanaminium, N,N,N-trimethyl-, bromideBenzyltrimethylammonium bromide(btm)WV 562NSC-24UF55CY4478WV-562RefChem:119014
名称をさらに表示
ベンジルトリメチルアンモニウムブロミドN,N,N-トリメチルベンゼンメタンアミニウム·ブロミドベンジルトリメチルアミニウム·ブロミド臭化ベンジルトリメチルアンモニウムベンジルトリメチルアンモニウム=ブロミド臭化ベンジルトリメチルアンモニウム, 98%ベンジル(ブロモ)トリメチルアザニウムベンジルトリメチルアミニウム・ブロミドN,N,N-トリメチルベンゼンメタンアミニウム・ブロミドベンジルトリメチルアンモニウム・ブロミドTRIMETHYLAMMONIUM BROMIDEBenzyltrimethylazanium bromidewv562[BzM3N]BrBenzenemethanaminium, NBenzyltrimenthylammoniumbromibenzyltrimethyl-ammoniubromideBenzyltrimethylaminium·bromide
226-320-2N,N,N-Trimethyl-1-phenylmethanaminium bromideWV 562 [German]N-Benzyl-N,N,N-trimethylammonium bromideMFCD00011780NSC 24EINECS 226-320-2benzyltrimethyl ammonium bromide
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
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 107
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Vapor Pressure0.00000005 [mmHg]
Physical DescriptionOff-white hygroscopic solid; [Acros Organics MSDS]
物理化学的性質
- 融点
- 230 · 230-232 °C (lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 水溶解度
- Soluble in water
- 外見
- 結晶性粉末
- 色
- ホワイトからオフホワイト
- 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-]
- CAS データベース
- 5350 · 5350-41-4(CAS DataBase Reference)
- NISTの化学物質情報
- Benzyltrimethylammonium bromide(5350-41-4)
化学的性質
安全と法規制
GHS分類
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.
危険有害性情報
Hazards SummarySubcutaneous LD50 (mouse) = 45 mg/kg; [RTECS] An irritant; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (11.4%)
安全データ
- F
- 3
- wgk
- 3
- rtecs
- BO8392000
- ridadr
- UN 2811
- 毒性
- LD50 subcutaneous in mouse: 45mg/kg
- hs_code
- 29239000
- risk_code
- 36/37/38
- 化審法
- (3)-2694
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
応用分野
用途有機合成原料(触媒)。
使用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.
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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