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Safety Information

137650

Sigma-Aldrich

6-Nitropiperonal

97%

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About This Item

Empirical Formula (Hill Notation):
C8H5NO5
CAS Number:
712-97-0
Molecular Weight:
195.13
EC Number:
211-926-1
MDL number:
MFCD00005829
UNSPSC Code:
12352100
PubChem Substance ID:
24848340
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

93-94 °C (lit.)

functional group

aldehyde
nitro

SMILES string

[H]C(=O)c1cc2OCOc2cc1[N+]([O-])=O

InChI

1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2

InChI key

NRZWECORTTWSEF-UHFFFAOYSA-N

Related Categories

Application

6-Nitropiperonal was used to study the mechanism of aromatic nucleophilic substitution reaction of [18F]Fluoride ion. It was used in the synthesis of 6-[18F]fluoro-L-dopa.

Storage Class Code

11 - 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 5: Self-reactive substances
Nitro compounds
Hazardous rank I
1st self-reactive materials

JAN Code

137650-5G:
137650-BULK:
137650-100G:
137650-VAR:
137650-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ5861
STBD5462V
STBC0963V
S25304
10627EU

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C Lemaire et al.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine, 31(7), 1247-1251 (1990-07-01)
This paper describes the preparation of 6-[18F]fluoro-L-dopa by a no-carrier-added method based on the nucleophilic displacement of nitro groups of two commercially available substrates, 3,4-dimethoxy-2-nitrobenzaldehyde (nitroveratraldehyde) and 6-nitropiperonal. Fluorination was conducted in DMSO with fluorine-18 (18F) in the presence of
Can we predict reactivity for aromatic nucleophilic substitution with [18F] fluoride ion?
Rengan R, et al.
Journal of Labelled Compounds & Radiopharmaceuticals, 33(7), 563-572 (1993)

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