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197017

Sigma-Aldrich

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
Beilstein:
1220937
EC Number:
206-889-3
MDL number:
MFCD00007068
UNSPSC Code:
12352100
PubChem Substance ID:
24851818
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

50-55 °C (lit.)

solubility

water: insoluble

functional group

chloro
fluoro
nitro

SMILES string

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

InChI

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

InChI key

HFHAVERNVFNSHL-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H302,H310,H315,H319

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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

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Jawad M Khalifeh et al.
Neurosurgery, 84(2), 362-377 (2018-10-30)
Restoration of shoulder function is an important treatment goal in upper brachial plexus injury (UBPI). Combined dual motor nerve transfer (CDNT) of spinal accessory to suprascapular and radial to axillary nerves demonstrates good functional recovery with minimal risk of perioperative
Barbara Kappes et al.
Future microbiology, 2(4), 409-423 (2007-08-09)
The spread of parasitic resistance has necessitated the development of new drugs and drug targets for the treatment of malaria. Microtubules, which have gained outstanding importance as target molecules for the development of anticancer drugs, are likely to be potent
Reaction of 4-chloro-3, 5-dinitrobenzotrifluoride with aniline derivatives. Substituent effects.
Al-Howsaway HOM, et al.
J. Chem. Res. (M), 2007(9), 509-512 (2007)
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
C Guastadisegni et al.
Ecotoxicology and environmental safety, 17(1), 21-29 (1989-02-01)
3,5-Dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene (DNCTT) is an intermediate in the synthesis of dinitroaniline herbicides and was involved in an episode of ground water pollution in 1977. The compound presents a high environmental persistence, which may have possible implications concerning public health. In one
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