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About This Item
Empirical Formula (Hill Notation):
C9H7NO
CAS Number:
Molecular Weight:
145.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
SMILES string
O=Cc1ccc2cc[nH]c2c1
InChI key
VSPBWOAEHQDXRD-UHFFFAOYSA-N
assay
97%
form
solid
mp
127-131 °C (lit.)
Application
- Reactant in preparation of analogs of botulinum neurotoxin serotype A protease inhibitors
- Reactant in synthesis of stilbene-based antitumor agents
- Reactant in acid-catalyzed preparation of aromatic gem-dihalides from aldehydes and acid halides
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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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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