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Merck
CN

197017

4-Chloro-3,5-dinitrobenzotrifluoride

98%

Synonym(s):

CDNT, DNT-Cl

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About This Item

Linear Formula:
ClC6H2(NO2)2CF3
CAS Number:
393-75-9
Molecular Weight:
270.55
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851818
EC Number:
206-889-3
Beilstein/REAXYS Number:
1220937
MDL number:
MFCD00007068

Key Documents

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Product Name

4-Chloro-3,5-dinitrobenzotrifluoride, 98%

InChI key

HFHAVERNVFNSHL-UHFFFAOYSA-N

InChI

1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

SMILES string

[O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F

assay

98%

form

solid

mp

50-55 °C (lit.)

solubility

water: insoluble

functional group

chloro
fluoro
nitro

Quality Level

100

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Application

4-Chloro-3,5-dinitrobenzotrifluoride was used:
  • as derivatization reagent in determination of amikacin in water samples and amino acids by HPLC
  • in the synthesis of N-(2,6-dinitro-4-trifluoromethylphenyl)aniline derivatives
  • in the synthesis of 4,6-dinitro-2,8-bis(trifluoromethyl)phenothiazine and isopropyl-2,6-dinitro-4-trifluoromethylphenyl sulfide

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

258.8 °F - closed cup

flash_point_c

126 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK0448
MKBV2179V
03904LH
04310CL
0424CJ

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S W Kamau et al.
BMC pharmacology, 1, 1-1 (2001-04-12)
Leishmaniasis is a major parasitic disease in the tropical regions. However, Leishmania infantum has recently emerged as a very important cause of opportunistic infections for individuals positive for human immunodeficiency virus (HIV). However, there is a lack of in vitro
Biren A Patel et al.
Journal of human evolution, 108, 176-198 (2017-06-18)
Songhor is an early Miocene fossil locality in Kenya known for its diverse primate assemblage that includes catarrhine species belonging to the genera Kalepithecus, Limnopithecus, Dendropithecus, Rangwapithecus, and Proconsul. Expeditions to Songhor since the 1930s have recovered unassociated catarrhine postcranial
In vitro effects of substituted toluenes on mitochondria isolated from rat liver.
C M Schiller
Biochemical pharmacology, 29(18), 2485-2489 (1980-09-15)
DERIVATIVES OF 4-CHLORO-3, 5-DINITROBENZOTRIFLUORIDE V. SYNTHESIS OF 4, 6-DINITRO-2, 8-BIS (TRIFLUOROMETHYL) PHENOTHIAZINE (1), ISOPROPYL 2, 6-DINITRO-4-TRIFLUOROMETHYLPHENYL SULFIDE (2) AND BIS (2, 6-DINITRO-4-TRIFLUOROMETHYLPHENYL) DISULFIDE (3).
D' aamico JJ, et al.
Phosphorus, Sulfur, and Silicon and the Related Elements, 7(2), 143-148 (1979)
K A Werbovetz et al.
Molecular and biochemical parasitology, 98(1), 53-65 (1999-02-24)
Past work suggests that tubulin from kinetoplastid parasites may present an excellent drug target. To explore this possibility, tubulin was purified on a milligram scale from Leishmania mexicana amazonensis promastigotes by sonication, DEAE-Sepharose chromatography, and one cycle of assembly-disassembly. Purified
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