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CAS Number: 40928-13-0
7-chloro-1H-benzo[d][1,3]oxazine-2,4-dione

Structure

 7-chloro-1H-benzo[d][1,3]oxazine-2,4-dione
Name: 7-chloro-1H-benzo[d][1,3]oxazine-2,4-dione
Synonyms:
General Information
Product Number: 40928130

CAS Registry Number 40928-13-0
Name:
2H-?3,?1-?Benzoxazine-?2,?4(1H)?-?dione, 7-?chloro-
Isatoic anhydride, 4-chloro- (6CI)
4-Chloroisatoic anhydride
7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
7-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione
7-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/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)

InChI Key:QRUPDIJQZCABTC-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)NC(=O)OC2=O

 

Thermal Properties Value Condition Note
Melting Point 290 °C   (2)IC
Melting Point 278-282 °C (decomp) Solv: ethanol (64-17-5) (3)CAS
Melting Point 250 °C (decomp)   (4)IC
Melting Point 215 °C (decomp)   (5)IC
Melting Point 204 °C Solv: 1,4-dioxane (123-91-1) (1)CAS

Specification

98%
References
  1. (1) Chakravorty, Rajyashree; Journal of the Indian Chemical Society 2006, V83(5), P519-521 CAPLUS
  2. (2) Baronnet, Rene; European Journal of Medicinal Chemistry 1983, V18(3), P241-7 CAPLUS
  3. (3) Gadekar, Shreekrishna M.; Journal of Organic Chemistry 1961, V26, P613-15 CAPLUS
  4. (4) Coghi, E.; Acta Naturalia de l'Ateneo Parmense 1986, V22(3), P41-6 CAPLUS
  5. (5) Albert, Anthony H.; Journal of Heterocyclic Chemistry 1978, V15(4), P529-36 CAPLUS
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