sodium 5-phenyl-4,5-dihydropyrazole-1-carboxylate

Modify Date: 2024-02-01 11:29:10

sodium 5-phenyl-4,5-dihydropyrazole-1-carboxylate Structure
sodium 5-phenyl-4,5-dihydropyrazole-1-carboxylate structure
Common Name sodium 5-phenyl-4,5-dihydropyrazole-1-carboxylate
CAS Number 121306-86-3 Molecular Weight 212.18000
Density N/A Boiling Point 367.8ºC at 760mmHg
Molecular Formula C10H9N2NaO2 Melting Point N/A
MSDS N/A Flash Point 176.2ºC

 Names

Name sodium,3-phenyl-3,4-dihydropyrazole-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 367.8ºC at 760mmHg
Molecular Formula C10H9N2NaO2
Molecular Weight 212.18000
Flash Point 176.2ºC
Exact Mass 212.05600
PSA 55.73000
LogP 0.13600
Vapour Pressure 4.67E-06mmHg at 25°C
InChIKey KFTLNIRJGYOQRK-UHFFFAOYSA-M
SMILES O=C([O-])N1N=CCC1c1ccccc1.[Na+]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6393932
CHEMICAL NAME :
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, sodium salt
CAS REGISTRY NUMBER :
121306-86-3
LAST UPDATED :
199606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N2-O2.Na
MOLECULAR WEIGHT :
212.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
710 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4990529

 Synthetic Route

~%

sodium 5-phenyl-4,5-dihydropyrazole-1-carboxylate Structure

sodium 5-phenyl...

CAS#:121306-86-3

Literature: Mitsui Toatsu Chemicals, Inc. Patent: US4839376 A1, 1989 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

1H-Pyrazole-1-carboxylic acid,4,5-dihydro-5-phenyl-,sodium salt
Sodium 5-phenyl-2-pyrazoline-1-carboxylate
Sodium 4,5-dihydro-5-phenyl-1H-pyrazole-1-carboxylate
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