4-Chloro-isatoic anhydride
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4-Chloro-isatoic anhydride
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CAS No:
40928-13-0
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Formula:
C8H4ClNO3
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Chemical Name:
4-Chloro-isatoic anhydride
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Synonyms:
AURORA KA-6696;4-CHLORO-ISATOIC ANHYDRIDE;7-CHLOROISATOIC ANHYDRIDE;7-CHLORO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE;6-CHLOROISATOIC ANHYDRIDE;4-CHLOROISATONIC ANHYDRIDE;7-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione,7-Chloroisatoicanhydride;7-chloro-2H-3,1-benzoxazine-2,4(1H)-dione
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36/37/38
26-36/37
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-isatoic anhydride Use and Manufacturing
Intermediate G: 7-chloro-1H-benzo[d][1, 3]oxazine-2, 4-dioneGeneral procedure: Method B: A mixture of amine (SG4-178 or SG5-085) (1 equiv.) and Et3N (1.2 equiv.) in 1, 4-dioxane (~0.5-1 M) was stirred at room temperature for 30 min, then the corresponding isatoic anhydride (1 equiv.) was added at room temperature. Water (20 mL) was added and extracted with EtOAc (2 × 20 mL) and DCM (1 × 20 mL). The combined organic layers were concentrated under reduced pressure. Unless otherwise mentioned, all products were collected via trituration using EtOAc/hexanes, EtOH/hexanes, or DCM/hexanes.
Computed Properties
Molecular Weight:197.57
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:196.9879707
Monoisotopic Mass:196.9879707
Topological Polar Surface Area:55.4
Heavy Atom Count:13
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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