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Sigma-Aldrich

Sodium 3-nitrobenzenesulfonate

98%

Synonym(s):

3-Nitrobenzenesulfonic acid sodium salt

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About This Item

Linear Formula:
O2NC6H4SO3Na
CAS Number:
127-68-4
Molecular Weight:
225.15
Beilstein:
3639982
EC Number:
204-857-3
MDL number:
MFCD00007490
UNSPSC Code:
12352100
PubChem Substance ID:
24853484
NACRES:
NA.22

Assay

98%

solubility

water: 50 mg/mL, clear to slightly hazy, faintly yellow to yellow

SMILES string

[Na+].[O-][N+](=O)c1cccc(c1)S([O-])(=O)=O

InChI

1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1

InChI key

LJRGBERXYNQPJI-UHFFFAOYSA-M

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Application

Sodium 3-nitrobenzenesulfonate (3-Nitrobenzenesulfonic acid sodium salt) was used in the synthesis of quinoline.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H317,H319

Hazard Classifications

Eye Irrit. 2 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

212.0 °F - closed cup

Flash Point(C)

100 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Bioorganic & medicinal chemistry letters, 15(23), 5241-5246 (2005-09-20)
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