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About This Item
Empirical Formula (Hill Notation):
C8H7NO2
Molecular Weight:
149.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
InChI key
ZFKRGDMEHBTPFN-UHFFFAOYSA-N
SMILES string
OC1=C(C#N)C=C(OC)C=C1
InChI
1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
assay
97%
form
powder or crystals
functional group
nitrile
storage temp.
2-8°C
Application
The Maiti-Bera-Modak Auxiliary is an auxiliary used for meta-directed C-H activation of phenylacetic acids. Unlike other templates, this is easily removed through transesterification with 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as an additive and can also be transesterified with other fluorine-containing alcohol additives.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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