153079

Sigma-Aldrich

3-Nitrobenzotrifluoride

97%

Synonym(s):
3-Nitro-α,α,α-trifluorotoluene
Linear Formula:
O2NC6H4CF3
CAS Number:
Molecular Weight:
191.11
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

refractive index

n20/D 1.472 (lit.)

bp

200-205 °C (lit.)

density

1.436 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

WHNAMGUAXHGCHH-UHFFFAOYSA-N

Related Categories

Pictograms

Skull and crossbones

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2306 6.1 / PGII

WGK Germany

WGK 2

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Certificate of Analysis

Certificate of Origin

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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