374857
3,5-双(三氟甲基)苯基异氰酸酯
98%
别名:
1-异硫氰酸基-3,5-双（三氟甲基）苯, 3,5-二（三氟甲基）苯基异氰酸酯
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关于此项目
线性分子式:
(CF3)2C6H3NCO
化学文摘社编号:
分子量:
255.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
产品名称
3,5-双(三氟甲基)苯基异氰酸酯, 98%
InChI
1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
SMILES string
FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O
InChI key
NRSSOFNMWSJECS-UHFFFAOYSA-N
assay
98%
form
liquid
refractive index
n20/D 1.43 (lit.)
density
1.476 g/mL at 25 °C (lit.)
functional group
fluoro
isocyanate
Quality Level
Application
3,5-双（三氟甲基）苯基异氰酸酯可用于以下研究：
- 氨基官能化模型表面的化学衍生。
- 通过与4-吡咯烷基二吡啶的放热反应制备芳基氨基硫代羰基吡啶鎓两性离子盐。
- （S）-3-羟甲基-2-甲氧基甲氧基-2′-(3-(3,5-双（三氟甲基）苯基）尿酰基-苄基)-1,10-联萘的合成。
- 通过与2-氨基吡啶在MeCN中反应，合成1-[3,5-双（三氟甲基）苯基]-3-（2-吡啶基）硫脲。
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
wgk
WGK 3
flash_point_f
154.4 °F - closed cup
flash_point_c
68 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Biao Wang et al.
The Science of the total environment, 710, 135512-135512 (2019-12-02)
The excessive use of acetochlor (ACT), a commonly used herbicide with latent endocrine disrupting functions, causes surface water pollution. The efficient removal of ACT from contaminated water supplies is of paramount importance. In the current work, 3,5-Bis(trifluoromethyl)phenyl isocyanate (BTP) was
Huadong Yue et al.
Acta crystallographica. Section E, Structure reports online, 64(Pt 5), o858-o858 (2008-01-01)
The title compound, C(14)H(9)F(6)N(3)S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N-H⋯N(py)
Utsab Manna et al.
Dalton transactions (Cambridge, England : 2003), 46(35), 11956-11969 (2017-08-31)
A rationally designed ortho-phenylenediamine based trifluoromethyl meta-disubstituted bis-urea receptor (L) exhibits effective, consistent and systematic binding in its neutral form towards smaller spherical halides (fluoride, chloride, bromide and iodide), and relatively larger planar carbonate and tetrahedral sulphate oxyanions. All the
Kazuaki Ishihara et al.
Organic letters, 10(11), 2187-2190 (2008-04-30)
The exothermic reaction of 3,5-bis(trifluoromethyl)phenyl or 4-nitrophenyl isothiocyanate with 4-pyrrolidinopyridine (PPY) gave the corresponding arylaminothiocarbonylpyridinium salts in quantitative yields. These novel zwitterionic salts were effective as organocatalysts for the transesterification reaction of an equimolar mixture of methyl carboxylates and alcohols
Effects of ring substituents on enantioselective recognition of amino alcohols and acids in uryl-based binol receptors.
Nandhakumar R, et al.
Tetrahedron, 64(33), 7704-7708 (2008)
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