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457752

Sigma-Aldrich

2-Methyl-4H-3,1-benzoxazin-4-one

98%

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About This Item

Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
525-76-8
Molecular Weight:
161.16
EC Number:
208-381-7
MDL number:
MFCD00047647
UNSPSC Code:
12352100
PubChem Substance ID:
24869391
NACRES:
NA.22

Assay

98%

mp

79-82 °C (lit.)

functional group

ester

SMILES string

CC1=Nc2ccccc2C(=O)O1

InChI

1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3

InChI key

WMQSKECCMQRJRX-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - 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

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Certificates of Analysis (COA)

Lot/Batch Number
MKAA4684
09815JJ
02907JJ
06926BJ
07103ME

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B Siedle et al.
Bioorganic & medicinal chemistry, 10(9), 2855-2861 (2002-07-12)
Human neutrophil elastase (HNE) is a serine protease that has been implicated in the abnormal turnover of connective tissue proteins and has been described as an important pathogenic factor in several inflammatory diseases such as rheumatoid arthritis or cystic fibrosis.
Reactivity of 4H-3,1-benzoxazin-4-ones towards nitrogen and carbon nucleophilic reagents: applications to the synthesis of new heterocycles.
Madkour HMF.
ARKIVOC (Gainesville, FL, United States), 1, 36-54 (2004)
A Simple Synthesis of 2-Substituted-4 H-3, 1-benzoxazin-4-ones by Palladium-Catalyzed Cyclocarbonylation of o-Iodoanilines with Acid Chlorides.
Chitchamai L and Alper H.
Organic Letters, 1(10), 1619-1622 (1999)
L Hedstrom et al.
Biochemistry, 23(8), 1753-1759 (1984-04-10)
The benzoxazinones 2-ethoxy-4H-3,1- benzoxazin -4-one (1a) and 2-(trifluoromethyl)-4H-3,1- benzoxazin -4-one (1d) inactivate chymotrypsin. The inactivation is stoichiometric and proceeds with rate constants of 7 X 10(5) M-1 min-1 and greater than 4 X 10(6) M-1 min-1, respectively. The inactivated enzyme

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