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Merck
CN

153079

3-Nitrobenzotrifluoride

97%

Synonym(s):

3-Nitro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
O2NC6H4CF3
CAS Number:
98-46-4
Molecular Weight:
191.11
NACRES:
NA.22
PubChem Substance ID:
24849283
UNSPSC Code:
12352100
EC Number:
202-670-1
MDL number:
MFCD00007260

Key Documents

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Product Name

3-Nitrobenzotrifluoride, 97%

InChI key

WHNAMGUAXHGCHH-UHFFFAOYSA-N

InChI

1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H

SMILES string

[O-][N+](=O)c1cccc(c1)C(F)(F)F

assay

97%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

200-205 °C (lit.)

density

1.436 g/mL at 25 °C (lit.)

functional group

fluoro
nitro

Quality Level

100

Related Categories

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

wgk

WGK 2

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
STBC6388V
STBB6690V
STBB6690
03903HJ
S39566

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H V Lavrov et al.
Dalton transactions (Cambridge, England : 2003), 46(33), 10926-10934 (2017-08-03)
We have predicted earlier by DFT simulation that tridentate O,N,O-donor cyclic dilactams (B) belonging to the family of pyridine-2,6-dicarboxamides are much more selective and efficient extractants for the separation of lanthanides and actinides than open-structure pyridine-2,6-dicarboxamides due to the higher
The Structures of Biphenyl, o-Terphenyl and Tetraphenylene1.
Karle IL and Brockway LO.
Journal of the American Chemical Society, 66(11), 1974-1979 (1944)

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