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Safety Information

798193

Sigma-Aldrich

Maiti-Bera-Modak Auxiliary

97%

Synonym(s):

2-Hydroxy-5-methoxybenzonitrile

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About This Item

Empirical Formula (Hill Notation):
C8H7NO2
Molecular Weight:
149.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

powder or crystals

functional group

nitrile

storage temp.

2-8°C

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

InChI key

ZFKRGDMEHBTPFN-UHFFFAOYSA-N

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.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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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