benzyltriethylazanium chloride

• ChemBase编号: 69447
• 分子式: C13H22ClN
• 平均质量: 227.77348
• 单一同位素质量: 227.14407739
• SMILES: [N+](CC)(CC)(CC)Cc1ccccc1.[Cl-]
• Canonical SMILES: CC[N+](Cc1ccccc1)(CC)CC.[Cl-]
• InChI: 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

名称和登记号

名称

• IUPAC标准名: benzyltriethylazanium chloride
• IUPAC传统名: benzyltriethylazanium chloride
• 别名: 苄基三乙基氯化铵; 三乙基苄基氯化铵; Benzyltriethylammonium chloride; N-Benzyl-N,N-diethylethanaminium chloride; Benzyltriethylammonium chloride 99%; Benzyl triethylammonium chloride; Benzyltriethylammoniumchloride; BTEAC; TEBA

登记号

• CAS号: 53-37-1; 56-37-1
• EC号: 200-270-1
• MDL号: MFCD00011824
• Beilstein号: 3574984
• PubChem SID: 162035173; 24848786; 24848415
• PubChem CID: 66133

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.1772702
• LogD (pH = 7.4): -1.1772702
• Log P: -1.1772702
• 摩尔折射率: 74.7601 cm^3
• 极化性: 24.744455 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear
• 熔点: 185-192(dec.)°C; 190-192 °C (dec.)(lit.); ca 190°C dec.
• 沸点: 444.8°C
• 闪点: >275 °C; >275°C; >527 °F

安全信息

• 保存注意事项: Hygroscopic; IRRITANT; Irritant/Hygroscopic/Store under Argon
• RTECS编号: BO8275000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 95+%; 98%; 99%
• 级别: purum
• 线性分子式: C6H5CH2N(Cl)(C2H5)3

详细说明

Sigma Aldrich - 146552

包装
25, 100, 500 g in glass bottle

参考文献

• Phase-transfer catalyst (see Appendix 2) which has found wide application in the generation of carbenes from haloforms and related precursors: Org. Synth. Coll., 7, 12 (1990); 8, 223 (1993). Dihalocarbenes have been used to convert primary amines (t-butylamine) to isonitriles: Org. Synth. Coll., 6, 232 (1988), and in the dehydration of amides, thioamides and oximes to nitriles: Tetrahedron Lett., 2121 (1973). Ureas give cyanamides.
• For use in the formation of polysubstituted cyclopropanes by carbene-type addition to double bonds, see Ethyl chloroacetate, A15554.
• For use in the dialkylation of malonate esters to give cyclopropane derivatives, see: Synthesis, 54 (1985); Org. Synth. Coll., 7, 411 (1993).
• In combination with NaBr in acetonitrile, has been used for the mono-dealkylation of phosphonate diesters: Synthesis, 453 (1983).