Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

329835

Sigma-Aldrich

2-Nitro-4-(trifluoromethyl)benzonitrile

99%

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

About This Item

Linear Formula:
O2NC6H3(CF3)CN
CAS Number:
778-94-9
Molecular Weight:
216.12
EC Number:
212-298-1
MDL number:
MFCD00014684
UNSPSC Code:
12352100
PubChem Substance ID:
24859817
NACRES:
NA.22

Assay

99%

form

solid

bp

156-158 °C/18 mmHg (lit.)

mp

44-47 °C (lit.)

functional group

fluoro

SMILES string

[O-][N+](=O)c1cc(ccc1C#N)C(F)(F)F

InChI

1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

InChI key

BQCWLXXZTCLGSZ-UHFFFAOYSA-N

Application

2-Nitro-4-(trifluoromethyl)benzonitrile was used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °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
MKCS3266
MKCM5791
MKBL0464V
MKBJ6578V
MKBH3349V

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

Studies on the rearrangement of ortho-nitrobenzylidenemalonates and their Analogues to 2-aminobenzoate derivatives.
Lewandowska E, et al.
Canadian Journal of Chemistry, 80(2), 192-199 (2002)

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