369306
3-Nitrophthalic acid
95%
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About This Item
Linear Formula:
O2NC6H3-1,2-(CO2H)2
CAS Number:
Molecular Weight:
211.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-030-8
Beilstein/REAXYS Number:
2054269
MDL number:
Assay:
95%
Quality Level
assay
95%
mp
210 °C (dec.) (lit.)
solubility
water: soluble 5%, clear to slightly hazy, colorless to faintly yellow
functional group
carboxylic acid, nitro
SMILES string
OC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O
InChI
1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI key
KFIRODWJCYBBHY-UHFFFAOYSA-N
General description
3-Nitrophthalic acid is a degradation product of isoxaben herbicide.It acts as ligand and forms rare-earth complexes with La, Nd, Eu, Tb, Er and Y. Preparation of 3-nitrophthalic acid has been reported.
Application
3-Nitrophthalic acid may be used as starting reagent in the synthesis of modified 2-iodoxybenzoic acid derivatives. It may be used in the synthesis of brucinium 2-carboxy-6-nitrophthalate dihydrate (systematic name: 2,3-dimethoxy-10-oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), via heating with brucine.
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signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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The preparation of 3-nitrophthalic acid.
Littmann ER.
Journal of the American Chemical Society, 47(7), 1980-1981 (1925)
Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1: 1 proton-transfer compound of brucine with 3-nitrophthalic acid.
Smith G, et al.
Acta Crystallographica Section E, Structure Reports Online, 61(7), o2008-o2011 (2005)
Fan Zhang et al.
Guang pu xue yu guang pu fen xi = Guang pu, 29(10), 2773-2776 (2009-12-30)
A series of rare-earth compound RE2L2 (HL)2 (H2O)6 x 2H2O (RE=La, Nd, Eu, Tb, Er, Y) containing 3-nitrophthalic acid (H2L) ligand were synthesized from ethanol-water solution, and characterized and investigated by the element analysis, infrared and ultraviolet absorption spectra and
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 369306-100G | 04061831833034 |