Skip to Content
Merck
CN

Key Documents

View All Documentation

345016

2-Methyl-5-nitrobenzonitrile

97%

Synonym(s):

5-Nitro-o-tolunitrile

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
O2NC6H3(CH3)CN
CAS Number:
939-83-3
Molecular Weight:
162.15
NACRES:
NA.22
PubChem Substance ID:
24861288
UNSPSC Code:
12352100
MDL number:
MFCD00017040
Assay:
97%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

assay

97%

mp

103.5-107.5 °C (lit.)

solubility

ethanol: soluble(lit.)

functional group

nitrile, nitro

SMILES string

Cc1ccc(cc1C#N)[N+]([O-])=O

InChI

1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3

InChI key

XOSDYLFXPMFRGF-UHFFFAOYSA-N

General description

2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile. It is formed by nitration of o-toluonitrile with NO2+BF4-. Crystal structure of 2-methyl-5-nitrobenzonitrile is stabilized by van der Waals interactions.

Application

2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

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