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5-??????????

5-??????????
5-?????????? ??? ???
?? ??:
4743-17-3
???:
5-??????????
???(??):
5-??????????
???:
5-Chloroisatoic anhydride
???(??):
5-Chloroisatoic;AKOS BBS-00002892;TIMTEC-BB SBB003570;5-Chloroisotoic anhydride;5-CHLOROISATOIC ANHYDRIDE;5-CHLOROISATONIC ANHYDRIDE;5-Chloroisatoic anyhydride;5-Chloroisatoic anhydride 97%;5-Chloroisatoic Anhydride >6-Chloro-1H-3,1-benzoxazine-2,4-dione
CBNumber:
CB9285848
???:
C8H4ClNO3
??? ??:
197.58
MOL ??:
4743-17-3.mol

5-?????????? ??

???
300 °C (dec.) (lit.)
??
1.540±0.06 g/cm3(Predicted)
?? ??
Inert atmosphere,Room Temperature
???
DMSO (?? ???)
?? ?? (pKa)
9.76±0.20(Predicted)
??? ??
??
??? ??
??? ??
??
???
InChI
1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChIKey
MYQFJMYJVJRSGP-UHFFFAOYSA-N
SMILES
Clc1ccc2NC(=O)OC(=O)c2c1
CAS ??????
4743-17-3(CAS DataBase Reference)
EPA
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro- (4743-17-3)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 36/37/38
????? 26-37/39
WGK ?? 3
?? ?? ?? Irritant
TSCA TSCA listed
HS ?? 2934999090
???? ??? 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P271 ?? ?? ??? ? ?? ???? ?????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

5-?????????? C??? ??, ??, ??

??? ??

White powder

??

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.

?? ??

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).

5-?????????? ?? ?? ? ???

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