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1-(3-Sulfophenyl)-3-methyl-5-pyrazolone - 95%（HPLC）, high purity , CAS No.119-17-5

COA

Grade & Purity:

≥95%(HPLC)

Cas Number: 119-17-5
Molecular Weight: 254.26
MDL number: MFCD00043811
PubChem CID: 67060

In stock

Item Number

S166338

Grouped product items
SKU	Size	Availability	Price
S166338-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
S166338-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
S166338-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
S166338-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$369.90

View related series

Pyrazoles (228)

Basic Description

Synonyms	NSC 15354 \| DL-P-CHLOROAMPHETAMINEHYDROCHLORIDE \| AKOS004912539 \| Tox21_301698 \| 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone, 3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid \| EC 204-303-0 \| Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazol
Specifications & Purity	≥95%(HPLC)
Storage Temp	Room temperature,Argon charged
Shipped In	Normal
Product 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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Pyrazolones Sulfonyls Organosulfonic acids Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
INCHI	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)
InChIKey	VEMGKBUHUTYHHA-UHFFFAOYSA-N
Smiles	CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O
Isomeric SMILES	CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O
WGK Germany	1
PubChem CID	67060
Molecular Weight	254.26

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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8 results found

Lot Number	Certificate Type	Date	Item
F2510520	Certificate of Analysis	Jul 11, 2024	S166338
F2510521	Certificate of Analysis	Jul 11, 2024	S166338
F2510784	Certificate of Analysis	Jul 11, 2024	S166338
F2510807	Certificate of Analysis	Jul 11, 2024	S166338
F2510808	Certificate of Analysis	Jul 11, 2024	S166338
F2510809	Certificate of Analysis	Jul 11, 2024	S166338
F2510810	Certificate of Analysis	Jul 11, 2024	S166338
F2510811	Certificate of Analysis	Jul 11, 2024	S166338

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	335 °C
Molecular Weight	254.260 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	254.036 Da
Monoisotopic Mass	254.036 Da
Topological Polar Surface Area	95.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	451.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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