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CAS Number: 20829-96-3
6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione

Structure

6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione
Name: 6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione
Synonyms:
General Information
Product Number: 20829963

CAS Registry Number 20829-96-3
Name:
2H-​3,​1-​Benzoxazine-​2,​4(1H)​-​dione, 5-​chloro-
5-Chlorisatoic anhydride
5-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
5-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione
6-Chloroisatoic anhydride

 

Chemical Formula: C8H4ClNO3
Exact Mass: 196.99
Molecular Weight: 197.58
m/z: 196.99 (100.0%), 198.99 (32.9%), 197.99 (9.2%), 199.99 (2.8%)

 

InChI:InChI=1S/C8H4ClNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)

InChI Key:NIGOFAVNIBBNJV-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Cl)C(=O)OC(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 272.5-272.9 °C   (3)CAS
Melting Point >260 °C   (5)CAS

Specification

98%

References

(3) Wennerberg, Johan; Organic Process Research & Development 2007, V11(4), P674-680 CAPLUS
(5) Tomassoli, Isabelle; European Journal of Medicinal Chemistry 2010, V46(1), P1-10 CAPLUS

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