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Merck
CN

711594

3-Methyl-2-benzoxazolinone

98%

Synonym(s):

3-Methyl-2(3H)-benzoxazolone

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About This Item

Empirical Formula (Hill Notation):
C8H7NO2
CAS Number:
Molecular Weight:
149.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
131018
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assay

≥97.5% (GC), 98%

form

needles

mp

83-87 °C

SMILES string

CN1C(=O)Oc2ccccc12

InChI

1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChI key

QRMRRLXXFHXMBC-UHFFFAOYSA-N



pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Thomas Baldwin et al.
PloS one, 14(7), e0214230-e0214230 (2019-07-13)
Benzoxazinoid (Bx) metabolites produced by wheat and other members of the Poaceae have activity against Fusarium sp. that cause cereal diseases including Fusarium head blight (FHB) on wheat and barley. Certain Bx metabolites can be detoxified by Fusarium sp. with