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551260

Sigma-Aldrich

5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid

Synonym(s):

1-Phenyl-3-carboxy-5-pyrazolone, 3-Carboxy-1-phenyl-2-pyrazolin-5-one

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About This Item

Empirical Formula (Hill Notation):
C10H8N2O3
CAS Number:
119-18-6
Molecular Weight:
204.18
EC Number:
204-304-6
MDL number:
MFCD00037318
UNSPSC Code:
12352100
PubChem Substance ID:
24879210
NACRES:
NA.22

form

solid

Quality Level

100

mp

237 °C (lit.)

functional group

carboxylic acid

SMILES string

OC(=O)C1=NN(C(=O)C1)c2ccccc2

InChI

1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)

InChI key

IMZSHPUSPMOODC-UHFFFAOYSA-N

Related Categories

Application

Reactant involved in synthesis of:
  • Pyrazolone derivatives for antiprion activity via heterocyclocondensation
  • Heterocyclic thiazolidinone and azetidinone compound for antibacterial studies

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7735
MKBD3847
05007PH
03001HE
01524JO

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