3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one

Name: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 32063

CAS 89-36-1C10H10N2O4SMW 254.26

3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one (CAS 89-36-1) — formula C10H10N2O4S, molecular weight 254.26; category organic chemicals.

Specifications

CAS Number89-36-1

Molecular FormulaC10H10N2O4S

Molecular Weight254.26

LogP0

CategoryOrganic Chemicals

Purchase Profile

What this product is

3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one is a carbon-based organic compound with CAS registry number 89-36-1 and molecular formula C10H10N2O4S (molecular weight 254.26), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 89-36-1

Its molecular formula C10H10N2O4S comprises 10 C, 10 H, 2 N, 4 O, 1 S atoms.

Also known as: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one · SMP

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one?

The CAS registry number of 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one is 89-36-1.

What is the molecular formula and molecular weight of 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one?

Molecular formula C10H10N2O4S, molecular weight 254.26.

What other names is 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one known by?

It is also registered under: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, SMP.

Which category does 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one (CAS 89-36-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	12.1% (7 / 58)
Reported hazard statements	H314 (75.9%), H317 (10.3%)

This chemical does not meet GHS hazard criteria for 12.1% (7 of 58) of reports.

H314 (75.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Regulatory listings

GHS notification summary	12.1% (7 / 58)

Physical description and handling notes

162.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044999]
159.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044999]

How this substance is indexed

CAS Registry Number	89-36-1
PubChem CID	66638
分子式	C10H10N2O4S
IUPAC 名称	4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
UNII（FDA）	NS00003586

Names this substance appears under

4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid; RefChem:513342; 89-36-1; 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid; 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one; Pyrazoline G; 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid; DTXSID0044999; MFCD00020756; NSC 26429; 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid; Benzenesulfonic acid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)-; NSC4752; SCHEMBL2223232; DTXCID8024999; CHEBI:192663

Computed molecular descriptors

分子量	254.26
XLogP3	0
氢键供体数	1
氢键受体数	5
可旋转键数	2
精确质量	254.03612798
单同位素质量	254.03612798
拓扑极性表面积	95.4
重原子数	17
形式电荷	0

Database abstract

3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one · CAS 89-36-1 · C10H10N2O4S. UNII NS00003586.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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