132322
m-Tolunitrile
99%
Synonym(s):
3-Methylbenzonitrile
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About This Item
Linear Formula:
CH3C6H4CN
CAS Number:
Molecular Weight:
117.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-631-5
Beilstein/REAXYS Number:
507391
MDL number:
Product Name
m-Tolunitrile, 99%
InChI key
BOHCMQZJWOGWTA-UHFFFAOYSA-N
InChI
1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
SMILES string
Cc1cccc(c1)C#N
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
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Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
186.8 °F - closed cup
flash_point_c
86 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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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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