132330
p-Tolunitrile
98%
Synonym(s):
4-Methylbenzonitrile
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About This Item
Linear Formula:
CH3C6H4CN
CAS Number:
Molecular Weight:
117.15
Beilstein:
507386
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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Related Categories
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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)
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
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
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