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CAS Number: 7652-29-1
6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one

Structure

 6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
Name: 6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
Synonyms:
General Information
Product Number: 7652291

CAS Registry Number 7652-29-1
Name:
2H-?1,?4-?Benzoxazin-?3(4H)?-?one, 6-?chloro-
6-Chloro-2H-1,4-benzoxazin-3(4H)-one
6-Chloro-3-oxo-2,3-dihydro-1,4-benzoxazine
6-Chloro-4H-benzo[1,4]oxazin-3-one
NSC 211462

 

Chemical Formula: C8H6ClNO2
Exact Mass: 183.01
Molecular Weight: 183.59
m/z: 183.01 (100.0%), 185.01 (32.4%), 184.01 (9.2%), 186.01 (2.8%)

 

InChI:InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)

InChI Key:OBPIPKQQNRACHV-UHFFFAOYSA-N

Canonical SMILES:C1C(=O)NC2=C(O1)C=CC(=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 221 °C Solv: methanol (67-56-1) (3)IC
Melting Point 218-219 °C   (5)CAS
Melting Point 214 °C   (6)IC
Melting Point 213-214 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 213 °C Solv: ethyl acetate (141-78-6) (8)IC
Melting Point 211.5-212.5 °C   (9)CAS
Melting Point 209-211 °C Solv: chloroform (67-66-3); dichloromethane (75-09-2) (1)CAS

Specification

98%
References
  1. (1) Ramesh, Chintakunta; Tetrahedron 2011, V67(6), P1187-1192 CAPLUS
  2. (2) Chen, Dingben; Organic & Biomolecular Chemistry 2009, V7(19), P4067-4073 CAPLUS
  3. (3) Hashimoto, Yuichi; Chemical & Pharmaceutical Bulletin 1983, V31(11), P3891-6 CAPLUS
  4. (4) Hogale, M. B.; Journal of the Indian Chemical Society 1985, V62(6), P471-2 CAPLUS
  5. (5) Toyoshima, Shoji; Yakugaku Zasshi 1966, V86(3), P203-9 CAPLUS
  6. (6) Shridhar, D. R.; Organic Preparations and Procedures International 1982, V14(3), P195-7 CAPLUS
  7. (7) Huang, Xian; Synthesis 1984, (10), P851-2 CAPLUS
  8. (8) Thuillier, Germaine; European Journal of Medicinal Chemistry 1975, V10(1), P37-42 CAPLUS
  9. (9) Hodel, Ernst; DE 1161080 1964 CAPLUS
  10. (10) Caliendo, Giuseppe; European Journal of Medicinal Chemistry 2004, V39(10), P815-826 CAPLUS
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