4,6-di(pyrazol-1-yl)pyrimidine

Modify Date: 2025-08-25 15:42:44

4,6-di(pyrazol-1-yl)pyrimidine Structure
4,6-di(pyrazol-1-yl)pyrimidine structure
 Common Name 4,6-di(pyrazol-1-yl)pyrimidine
CAS Number 114833-91-9 Molecular Weight 212.21100
Density 1.42g/cm3 Boiling Point 412.9ºC at 760mmHg
Molecular Formula C10H8N6 Melting Point N/A
MSDS N/A Flash Point 203.5ºC

 Names

Name 4,6-di(pyrazol-1-yl)pyrimidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 412.9ºC at 760mmHg
Molecular Formula C10H8N6
Molecular Weight 212.21100
Flash Point 203.5ºC
Exact Mass 212.08100
PSA 61.42000
LogP 0.84800
Vapour Pressure 1.2E-06mmHg at 25°C
Index of Refraction 1.76
InChIKey ITORZLJASZQARK-UHFFFAOYSA-N
SMILES c1cnn(-c2cc(-n3cccn3)ncn2)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7137500
CHEMICAL NAME :
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CAS REGISTRY NUMBER :
114833-91-9
LAST UPDATED :
199806
DATA ITEMS CITED :
1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/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: #4849424

 Synthetic Route

Pyrazole structure

Pyrazole

CAS#:288-13-1

4,6-dichloropyrimidine structure

4,6-dichloropyr...

CAS#:1193-21-1

~%

4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine structure

4-Chloro-6-(1H-...

CAS#:114833-95-3

4,6-di(pyrazol-1-yl)pyrimidine Structure

4,6-di(pyrazol-...

CAS#:114833-91-9

Literature: Ikeda, Masazumi; Maruyama, Kazumi; Nobuhara, Youichi; Yamada, Toshihiro; Okabe, Susumu Chemical and Pharmaceutical Bulletin, 1996 , vol. 44, # 9 p. 1700 - 1706
Pyrazole structure

Pyrazole

CAS#:288-13-1

4,6-dichloropyrimidine structure

4,6-dichloropyr...

CAS#:1193-21-1

~%

4,6-di(pyrazol-1-yl)pyrimidine Structure

4,6-di(pyrazol-...

CAS#:114833-91-9

Literature: Ikeda, Masazumi; Maruyama, Kazumi; Nobuhara, Youichi; Yamada, Toshihiro; Okabe, Susumu Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 3 p. 549 - 551

 Synonyms

4,6-Bis(1H-pyrazol-1-yl)pyrimidine
4,6-bis(1-pyrazolyl)pyrimidine
4,6-di(1-pyrazolyl)pyrimidine
4,6-bis(pyrazol-1-yl)pyrimidine
2,6-bis(pyrazol-1-yl)pyrimidine
Pyrimidine,4,6-bis(1H-pyrazol-1-yl)
4,6-bis(pyrazolyl)pyrimidine
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