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556890

1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one

Name: 1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one
Brand: ALDRICH

95%

Synonym(s):

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone, 3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₁₀N₂O₄S

CAS Number:

119-17-5

Molecular Weight:

254.26

UNSPSC Code:

12352100

PubChem Substance ID:

24879590

EC Number:

204-303-0

MDL number:

MFCD00043811

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Properties

assay

95%

mp

335 °C (lit.)

SMILES string

CC1=NN(C(=O)C1)c2cccc(c2)S(O)(=O)=O

InChI

1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)

InChI key

VEMGKBUHUTYHHA-UHFFFAOYSA-N

Description

Application

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone [1-(3′-sulfophenyl)-3-methyl-5-pyrazolone] may be used to synthesize α-Pigment Yellow 191.

pictograms

GHS07

signalword

Warning

hcodes

H317

pcodes

P261 - P272 - P280 - P302 + P352 - P333 + P313 - P362 + P364

Hazard Classifications

Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

10010KO

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The first crystal structures of industrial laked yellow pigments determined by X-ray powder diffraction.

Martin U Schmidt et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 15(2), 338-341 (2008-12-02)