5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid

Modify Date: 2025-08-25 20:35:40

5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid structure	Common Name	5-Hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-1H-pyrazole-4-acetic a cid
	CAS Number	84968-81-0	Molecular Weight	334.30700
	Density	1.617g/cm3	Boiling Point	639ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₀N₄O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	340.3ºC

Name	2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid

Density	1.617g/cm3
Boiling Point	639ºC at 760 mmHg
Molecular Formula	C₁₃H₁₀N₄O₅S
Molecular Weight	334.30700
Flash Point	340.3ºC
Exact Mass	334.03700
PSA	162.04000
LogP	2.14220
Index of Refraction	1.717
InChIKey	IWAIQFVXTQHMFX-UHFFFAOYSA-N
SMILES	Cc1[nH]n(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c1CC(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ4922500

CHEMICAL NAME :: 1H-Pyrazole-4-acetic acid, 5-hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-

CAS REGISTRY NUMBER :: 84968-81-0

LAST UPDATED :: 198906

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H10-N4-O5-S

MOLECULAR WEIGHT :: 334.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 21,869,1982

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