MilliporeSigma
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369306

Sigma-Aldrich

3-Nitrophthalic acid

95%

Linear Formula:
O2NC6H3-1,2-(CO2H)2
CAS Number:
Molecular Weight:
211.13
Beilstein:
2054269
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

mp

210 °C (dec.) (lit.)

solubility

water: soluble 5%, clear to slightly hazy, colorless to faintly yellow

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

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General description

3-Nitrophthalic acid is a degradation product of isoxaben herbicide.[1]It acts as ligand and forms rare-earth complexes with La, Nd, Eu, Tb, Er and Y.[2] Preparation of 3-nitrophthalic acid has been reported.[3]

Application

3-Nitrophthalic acid may be used as starting reagent in the synthesis of modified 2-iodoxybenzoic acid derivatives.[4] 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.[5]

Packaging

100 g in poly bottle

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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