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89660

Sigma-Aldrich

o-Tolunitrile

≥97.0% (GC)

Synonym(s):
2-Methylbenzonitrile
Linear Formula:
CH3C6H4CN
CAS Number:
Molecular Weight:
117.15
Beilstein:
1857417
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥97.0% (GC)

form

liquid

refractive index

n20/D 1.5279 (lit.)
n20/D 1.528

bp

205 °C (lit.)

mp

−13-−11 °C (lit.)
−13-−11 °C

density

0.989 g/mL at 25 °C (lit.)

SMILES string

Cc1ccccc1C#N

InChI

1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3

InChI key

NWPNXBQSRGKSJB-UHFFFAOYSA-N

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1 of 4

This Item
1323307754083062
o-Tolunitrile ≥97.0% (GC)

Sigma-Aldrich

89660

o-Tolunitrile

p-Tolunitrile 98%

Sigma-Aldrich

132330

p-Tolunitrile

o-Phenetidine ≥97.0% (GC)

Sigma-Aldrich

77540

o-Phenetidine

form

liquid

form

solid

form

liquid

form

liquid

refractive index

n20/D 1.5279 (lit.), n20/D 1.528

refractive index

-

refractive index

n20/D 1.555 (lit.)

refractive index

n20/D 1.446

bp

205 °C (lit.)

bp

103-106 °C/20 mmHg (lit.), 217 °C (lit.)

bp

231-233 °C (lit.)

bp

-

mp

−13-−11 °C (lit.)

mp

26-28 °C (lit.)

mp

-

mp

-

density

0.989 g/mL at 25 °C (lit.)

density

0.981 g/mL at 25 °C (lit.)

density

1.051 g/mL at 25 °C (lit.)

density

1.052 g/mL at 20 °C (lit.)

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Chronic 3 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Benzonitrile anhydrous, ≥99%

Sigma-Aldrich

294098

Benzonitrile

José Arturo Ruiz-Santoyo et al.
The Journal of chemical physics, 144(4), 044303-044303 (2016-02-02)
Rotationally resolved fluorescence excitation spectra of the origin bands in the S1 ← S0 transition of 2-tolunitrile (2TN) and 3-tolunitrile (3TN) have been recorded in the collision-free environment of a molecular beam. Analyses of these data provide the rotational constants

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