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132322

Sigma-Aldrich

m-Tolunitrile

99%

Synonym(s):

3-Methylbenzonitrile

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About This Item

Linear Formula:
CH3C6H4CN
CAS Number:
620-22-4
Molecular Weight:
117.15
Beilstein:
507391
EC Number:
210-631-5
MDL number:
MFCD00001808
UNSPSC Code:
12352100
PubChem Substance ID:
24848049
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.525 (lit.)

bp

99-101 °C/20 mmHg (lit.)

mp

−23 °C (lit.)

density

0.976 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

Cc1cccc(c1)C#N

InChI

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

InChI key

BOHCMQZJWOGWTA-UHFFFAOYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

186.8 °F - closed cup

Flash Point(C)

86 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC3682
15009PO
10307AG
00809MP
00223DZ

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Ultrasound-promoted synthesis of nitriles from aldoximes under ambient conditions.
Jiang N and Ragauskas AJ.
Tetrahedron Letters, 51(34), 4479-4481 (2010)
Rh (III)-photosensitized interconversion of norbornadiene and quadricyclane.
Sluggett GW, et al.
The Journal of Physical Chemistry A, 101(47), 8834-8838 (1997)
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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