475483
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one
98%
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About This Item
Empirical Formula (Hill Notation):
C10H8ClNO3
CAS Number:
Molecular Weight:
225.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C10H8ClNO3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5H2,(H,12,14)
SMILES string
ClCC(=O)c1ccc2OCC(=O)Nc2c1
InChI key
MIAHXWVABDHISZ-UHFFFAOYSA-N
assay
98%
mp
228-230 °C (lit.)
functional group
chloro, ketone
General description
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one is a heterocyclic building block.
Application
6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one may be used in the preparation of [2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-carbonyl)-1H-indol-3-yl]acetic acids and N-alkyl 6-[2-(4,6-diphenylpyridyl)]-2H-[1,4]benzoxazin-3-one.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - 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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Studies on the Synthesis of 6-(Substituted pyridyl)-2H-[1, 4] benzoxazin-3 (4H)-one Derivatives.
Krishnan VSH, et al.
ChemInform, 32(40) (2001)
Synthesis of [2-(3-oxo-3, 4-dihydro-2H-benzo [1, 4] oxazin-6 carbonyl)-1H-indol-3-yl] acetic acids as potential COX-2 inhibitors.
Dubey PK, et al.
Indian Journal of Chemistry, 45(9), 2128-2128 (2006)
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