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115932

6-Nitrophthalide

Name: 6-Nitrophthalide
Brand: ALDRICH

95%

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About This Item

Empirical Formula (Hill Notation):

C₈H₅NO₄

CAS Number:

610-93-5

Molecular Weight:

179.13

UNSPSC Code:

12352100

PubChem Substance ID:

24847252

MDL number:

MFCD00033529

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Properties

assay

95%

mp

140-145 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc2COC(=O)c2c1

InChI

1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2

InChI key

RNWGZXAHUPFXLL-UHFFFAOYSA-N

Description

Application

6-Nitrophthalide has been used in the preparation of 3-bromo-6-nitrophthalide. It undergoes reductive methylation to form 6-dimethylaminophthalide.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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1044. Bisquaternary salts related to quinapyramine (Antrycide). Replacement of the quinoline nucleus by other heterocycles.

Berg SS and Parnell EW.

Journal of the Chemical Society, 5275-5284 (1961)

Hydrogenation of substituted phthalic anhydrides over palladium.

McAlees AJ, et al.

Journal of the Chemical Society. Perkin Transactions 1, 18, 2030-2036 (1977)