Merck
CN
All Photos(1)

Documents

Safety Information

132330

Sigma-Aldrich

p-Tolunitrile

98%

Sign Into View Organizational & Contract Pricing
All Photos(1)
Synonym(s):
4-Methylbenzonitrile
Linear Formula:
CH3C6H4CN
CAS Number:
104-85-8
Molecular Weight:
117.15
Beilstein:
507386
EC Number:
203-244-8
MDL number:
MFCD00001827
PubChem Substance ID:
24848050
NACRES:
NA.22

Quality Level

200

Assay

98%

form

solid

bp

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

mp

26-28 °C (lit.)

solubility

alcohol: very soluble
diethyl ether: very soluble
water: insoluble

density

0.981 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(cc1)C#N

InChI

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

InChI key

VCZNNAKNUVJVGX-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

Pictograms

Exclamation markHealth hazard
GHS07,GHS08

Signal Word

Danger

Hazard Statements

H315 - H319 - H334 - H335

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Documents related to the products that you have purchased in the past have been gathered in the Document Library for your convenience.

Visit the Document Library

Difficulty Finding Your Product Or Lot/Batch Number?

Product numbers are combined with Pack Sizes/Quantity when displayed on the website (example: T1503-25G). Please make sure you enter ONLY the product number in the Product Number field (example: T1503).

Example:

T1503
Product Number
-
25G
Pack Size/Quantity

Additional examples:

705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

enter as 1.000309185)

Having trouble? Feel free to contact Technical Service for assistance.

Lot and Batch Numbers can be found on a product's label following the words 'Lot' or 'Batch'.

Aldrich Products

  • For a lot number such as TO09019TO, enter it as 09019TO (without the first two letters 'TO').

  • For a lot number with a filling-code such as 05427ES-021, enter it as 05427ES (without the filling-code '-021').

  • For a lot number with a filling-code such as STBB0728K9, enter it as STBB0728 without the filling-code 'K9'.

Not Finding What You Are Looking For?

In some cases, a COA may not be available online. If your search was unable to find the COA you can request one.

Request COA

Kei Ohkubo et al.
Journal of the American Chemical Society, 125(42), 12850-12859 (2003-10-16)
A ring-substituted toluene with an electron-withdrawing substituent, p-tolunitrile, is oxygenated by molecular oxygen to yield the corresponding aldehyde with tetrafluoro-p-dicyanobenzene as a photocatalyst under photoirradiation with an Hg lamp (lambda > 300 nm). The oxygenation of a ring-substituted toluene with
Vibronic spectroscopy of jet-cooled p-cyanobenzyl radical: D1? D0 spectra and vibrational mode assignments.
Lee SK and Ahn BU.
Chemical Physics Letters, 320(5), 601-606 (2000)
Niina Tani et al.
Bioorganic & medicinal chemistry, 22(23), 6655-6664 (2014-12-03)
Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by evaluating CYP2A6 inhibitory effect of novel formyl, alkyl amine or carbonitrile

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service