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Key Documents

Safety Information

711594

Sigma-Aldrich

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
Beilstein:
131018
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

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

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