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89660

Sigma-Aldrich

o-Tolunitrile

≥97.0% (GC)

Synonym(s):

2-Methylbenzonitrile

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About This Item

Linear Formula:
CH3C6H4CN
CAS Number:
529-19-1
Molecular Weight:
117.15
Beilstein:
1857417
EC Number:
208-451-7
MDL number:
MFCD00001792
UNSPSC Code:
12352100
PubChem Substance ID:
24889248
NACRES:
NA.22

Quality Level

100

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.)

functional group

nitrile

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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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H412

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCD9268
BCCC8528
BCCB1752
BCBV3261
BCBQ8539V

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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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