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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

132322-VAR:
132322-100G:4548173104584
132322-BULK:
132322-5G:4548173104591

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC3682
15009PO
3523AR
12631EG
11012JF

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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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