Nitric Acid → 8-Nitro-2,4-bis(trichloromethyl)-2H,4H-1,3-benzodioxine-6-carboxylic acid

HRID 1228285Notes

Reaction equation

HRID 1228285 reaction equation
[Cl:5][C:6]([CH:7]1[O:8][c:9]2[c:10]([cH:17][c:18]([C:21](=[O:22])[OH:23])[cH:19][cH:20]2)[CH:11]([C:13]([Cl:14])([Cl:15])[Cl:16])[O:12]1)([Cl:24])[Cl:25].[OH:1][N+:2]([O-:3])=[O:4].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[O-:1][N+:2](=[O:4])[c:20]1[c:9]2[c:10]([cH:17][c:18]([C:21](=[O:22])[OH:23])[cH:19]1)[CH:11]([C:13]([Cl:14])([Cl:15])[Cl:16])[O:12][CH:7]([C:6]([Cl:5])([Cl:24])[Cl:25])[O:8]2

Participants

4

Reactant 3

HCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 1941342,4-Bis(trichloromethyl)-2H,4H-1,3-benzodioxine-6-carboxylic acid

Product 1

HCID 233329358-Nitro-2,4-bis(trichloromethyl)-2H,4H-1,3-benzodioxine-6-carboxylic acid

Sources & evidence

ORD record
ord-fd3e934407444662b616ec7d59591db4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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