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73602-61-6 分子结构
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triethylazanium fluoride dihydrofluoride

ChemBase编号:302389
分子式:C6H18F3N
平均质量:161.2090296
单一同位素质量:161.13913424
SMILES和InChIs

SMILES:
CC[NH+](CC)CC.F.F.[F-]
Canonical SMILES:
CC[NH+](CC)CC.F.F.[F-]
InChI:
InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
InChIKey:
IKGLACJFEHSFNN-UHFFFAOYSA-N

引用这个纪录

CBID:302389 http://www.chembase.cn/molecule-302389.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
triethylazanium fluoride dihydrofluoride
IUPAC传统名
TEAH fluoride dihydrofluoride
别名
三乙胺三氢氟酸盐
Hydrogen fluoride triethylamine
Triethylamine tris(hydrogen fluoride)
Triethylamine trihydrofluoride
CAS号
73602-61-6
EC号
277-550-5
MDL号
MFCD00043294
Beilstein号
5522945

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
Alfa Aesar L14417 external link 加入购物车
数据来源 数据ID 价格
Alfa Aesar
L14417 external link 加入购物车 请登录
数据来源 数据ID

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) -2.2147028  LogD (pH = 7.4) -1.4690653 
Log P 1.2605933  摩尔折射率 45.2508 cm3
极化性 13.265366 Å3 极化表面积 4.44 Å2
可自由旋转的化学键 里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
熔点
-29°C expand 查看数据来源
沸点
70°C/15mm expand 查看数据来源
闪点
87°C(188°F) expand 查看数据来源
密度
0.990 expand 查看数据来源
折射率
1.3915 expand 查看数据来源
保存注意事项
Hygroscopic expand 查看数据来源
欧盟危险性物质标志
剧毒(Highly toxic) 剧毒(Highly toxic) (T+) expand 查看数据来源
联合国危险货物编号
UN1790 expand 查看数据来源
联合国危险货物等级
8 expand 查看数据来源
联合国危险货物包装类别(PG)
II expand 查看数据来源
危险公开号
26/27/28-35 expand 查看数据来源
安全公开号
26-27/28-36/37/39-45-60 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS05 expand 查看数据来源
GHS06 expand 查看数据来源
GHS危险声明
H300-H310-H330-H314-H318-H227 expand 查看数据来源
GHS警示性声明
P280-P303+P361+P353-P305+P351+P338-P320-P310 expand 查看数据来源
纯度
ca 37% HF expand 查看数据来源

详细说明

详细说明

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Convenient mild fluorinating agent which can be handled in glass equipment (long-term storage in glass is not recommended):
  • Activated halides can be displaced to give the corresponding fluorides J. Fluorine Chem., 15, 423 (1980); 47, 467 (1990). Carbohydrate bromides or mesylates can be converted to fluorinated analogues with inversion of configuration: J. Fluorine Chem., 60, 49 (1993); Tetrahedron Lett., 31, 6527 (1990).
  • In the presence of NBS, alkenes undergo trans-fluorobromination in high yield: Synthesis, 562 (1987); Liebigs Ann. Chem., 849 (1995); Org. Synth., 76, 159 (1998). Vinyl oxiranes undergo ring opening to give fluorohydrins: J. Fluorine Chem., 70, 1 (1995); in the presence of NBS, fluorobromination of the double bond occurs instead: J. Org. Chem., 59, 5277 (1994).
  • A variety of compounds undergo electrochemical fluorination at activated positions. ɑ-Fluorinations of sulfides have been extensively studied by Fuchigami and others. The reaction usually requires the presence of an electron withdrawing group ɑ- to the sulfur atom, e.g. monofluorination of ethyl (phenylthio)acetate: J. Org. Chem., 56, 6731 (1991); 59, 5937 (1994); 60, 3459 (1995), and of phenylthio substituted nitrogen heterocycles including ?-lactams: Tetrahedron Lett., 33, 7017 (1992); J. Org. Chem., 57, 3755 (1992); 58, 4200 (1993).
  • For electrochemical fluorodeiodination of alkyl iodides, see: Synlett, 999 (2000). Fluorodesilylation in ?-lactams has also been reported: J. Chem. Soc., Perkin 1, 1327 (1995).
  • Excellent, selective reagent for cleavage of O-silyl groups in carbohydrates, nucleotides, cyanohydrins, etc.: Carbohydr. Res., 166, 309 (1987); J. Org. Chem., 52, 564 (1987); Bioorg. Chem. Med. Lett., 4, 1345 (1994); J. Am. Chem. Soc., 116, 4697 (1994). This has been exploited in a mild synthesis of substituted furans: Tetrahedron Lett., 37, 6065 (1996):
  • The Balz-Schiemann reaction of aryldiazonium fluoroborates with the reagent under ultrasound irradiation gives improved yields of aryl fluorides: Z. Chem., 26, 169 (1986).
  • For a review of the use of the reagent in synthesis, see: J. Prakt. Chem./ Chem. Ztg., 338, 99 (1996).
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专利

专利

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