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1672-63-5

1672-63-5 structural image
Product Name: 4-HYDROXYANTIPYRINE
Formula: C11H12N2O2
Synonyms: 4-Hydroxy-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one;NSC 174055
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 141.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 1873

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 204.22 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 204.089877630 g/mol
Monoisotopic Mass 204.089877630 g/mol
Topological Polar Surface Area 43.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 306
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone is a ring assembly and a member of pyrazoles.