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Merck
CN

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:
Assay:
98%
Form:
liquid
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Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.43 (lit.)

density

1.476 g/mL at 25 °C (lit.)

functional group

fluoro, isocyanate

SMILES string

FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O

InChI

1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChI key

NRSSOFNMWSJECS-UHFFFAOYSA-N

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

pictograms

Health hazardExclamation mark

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

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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)



全球贸易项目编号

货号GTIN
374857-5G04061831834840
374857-1G04061831834833