Basic information Safety Supplier Related

5-Chloroisatoic anhydride

Basic information Safety Supplier Related

5-Chloroisatoic anhydride Basic information

Product Name:
5-Chloroisatoic anhydride
Synonyms:
  • TIMTEC-BB SBB003570
  • AKOS BBS-00002892
  • 5-CHLOROISATOIC ANHYDRIDE
  • 5-CHLOROISATONIC ANHYDRIDE
  • 6-CHLORO-1,2-DIHYDRO-4 H-3,1-BENZOXAZINE-2,4-DIONE
  • 6-chloro-4h-3,1-benzoxazine-2,4(1h)-dione
  • 5-Chloroisotoic anhydride
  • 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione
CAS:
4743-17-3
MF:
C8H4ClNO3
MW:
197.58
EINECS:
225-255-7
Product Categories:
  • Benzoxazines
  • Building Blocks
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Chemical Synthesis
  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
Mol File:
4743-17-3.mol
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5-Chloroisatoic anhydride Chemical Properties

Melting point:
300 °C (dec.) (lit.)
Density 
1.540±0.06 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Room Temperature
solubility 
DMSO (Slightly)
form 
Solid
pka
9.76±0.20(Predicted)
color 
Off-White
CAS DataBase Reference
4743-17-3(CAS DataBase Reference)
EPA Substance Registry System
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro- (4743-17-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
Hazard Note 
Irritant
HS Code 
2934999090

MSDS

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5-Chloroisatoic anhydride Usage And Synthesis

Chemical Properties

White powder

Uses

5-Chloroisatoic Anhydride was used as a reagent in the synthesis of 2-acetamidobenzamides bearing the 2-phenoxy functionality which display antiproliferative activity against certain tumor cell lines. Also used in the preparation of inhibitors of delta-5 desaturase.

Preparation

5-Chloroisatoic anhydride is prepared from 5-chloro indole (9c) by stirring in a 4:1 mixture of DMF/H2O for 16 h at room temperature.
1 H NMR (DMSO-d6): δ 11.85 (s, br., 1H), 7.96 (dd, J = 0.8, 8.7 Hz, 1H), 7.87 (dd, J = 2.3, 8.7 Hz, 1H), 7.09 (dd, J = 8.8, 0.8 Hz, 1H).

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