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About This Item
Linear Formula:
CH3C6H4CN
CAS Number:
Molecular Weight:
117.15
EC Number:
203-244-8
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
507386
MDL number:
grade
purum
assay
≥98.0% (GC)
bp
103-106 °C/20 mmHg (lit.), 217 °C (lit.)
mp
26-28 °C (lit.)
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
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 2
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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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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