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Merck
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주요 문서

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374857

Sigma-Aldrich

3,5-Bis(trifluoromethyl)phenyl isocyanate

98%

동의어(들):

1-Isocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-Di(trifluoromethyl)phenyl isocyanate

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About This Item

Linear Formula:
(CF3)2C6H3NCO
CAS Number:
16588-74-2
Molecular Weight:
255.12
MDL number:
MFCD00013559
UNSPSC 코드:
12352100
PubChem Substance ID:
24863344
NACRES:
NA.22
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분석

98%

양식

liquid

refractive index

n20/D 1.43 (lit.)

density

1.476 g/mL at 25 °C (lit.)

작용기

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

관련 카테고리

애플리케이션

3,5-Bis(trifluoromethyl)phenyl isocyanate may be used in following studies:
  • Chemical derivatization of amino-functionalized model surfaces.[1]
  • Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine.[2]
  • Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene.[3]
  • Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.[4]

픽토그램

Health hazardExclamation mark
GHS08,GHS07

신호어

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

표적 기관

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point (°F)

154.4 °F - closed cup

Flash Point (°C)

68 °C - closed cup

개인 보호 장비

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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시험 성적서(COA)

Lot/Batch Number
SHBR2201
SHBR1503
15527LOV
15527LO
16412HR

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문서 라이브러리 방문

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
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
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)
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
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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