2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

Modify Date: 2024-01-14 10:41:03

2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one Structure
2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one structure
 Common Name 2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one
CAS Number 107089-87-2 Molecular Weight 354.38300
Density 1.47g/cm3 Boiling Point 542.9ºC at 760mmHg
Molecular Formula C17H14N4O3S Melting Point N/A
MSDS N/A Flash Point 282.1ºC

 Names

Name 2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

 Chemical & Physical Properties

Density 1.47g/cm3
Boiling Point 542.9ºC at 760mmHg
Molecular Formula C17H14N4O3S
Molecular Weight 354.38300
Flash Point 282.1ºC
Exact Mass 354.07900
PSA 90.79000
LogP 2.44610
Vapour Pressure 7.56E-12mmHg at 25°C
Index of Refraction 1.723

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0475000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-phenyl-4H-1,2,4-benzothiadi azin-3-yl)-, S,S-dioxide
CAS REGISTRY NUMBER :
107089-87-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-N4-O3-S
MOLECULAR WEIGHT :
354.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>800 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: 24,1295,1985

 Synthetic Route

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)hydrazine structure

(1,1-dioxo-4-ph...

CAS#:107089-81-6

~58%

2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one Structure

2-(1,1-dioxo-4-...

CAS#:107089-87-2

Literature: Reddy, A. V. N.; Kamal, Ahmed; Sattur, P. B. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985 , vol. 24, p. 1295 - 1297
1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-one structure

1,1-dioxo-4-phe...

CAS#:71254-68-7

~%

2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one Structure

2-(1,1-dioxo-4-...

CAS#:107089-87-2

Literature: Reddy, A. V. N.; Kamal, Ahmed; Sattur, P. B. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985 , vol. 24, p. 1295 - 1297
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Chemsrc provides CAS#:107089-87-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one>> amp version: 2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

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