Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

153079

Sigma-Aldrich

3-Nitrobenzotrifluoride

97%

Synonym(s):

3-Nitro-α,α,α-trifluorotoluene

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

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

Quality Level

100

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

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

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H315,H319,H330,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBC6388V
STBB6690V
STBB6690
03903HJ
S39566

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

The Structures of Biphenyl, o-Terphenyl and Tetraphenylene1.
Karle IL and Brockway LO.
Journal of the American Chemical Society, 66(11), 1974-1979 (1944)
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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service