5-Amino-1-phenyl-1H-pyrazole

Modify Date: 2025-08-24 19:53:38

5-Amino-1-phenyl-1H-pyrazole Structure
5-Amino-1-phenyl-1H-pyrazole structure
Common Name 5-Amino-1-phenyl-1H-pyrazole
CAS Number 826-85-7 Molecular Weight 159.18800
Density 1.2 g/cm3 Boiling Point 323.2ºC at 760 mmHg
Molecular Formula C9H9N3 Melting Point 51ºC
MSDS N/A Flash Point N/A

 Names

Name 5-Amino-1-phenylpyrazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2 g/cm3
Boiling Point 323.2ºC at 760 mmHg
Melting Point 51ºC
Molecular Formula C9H9N3
Molecular Weight 159.18800
Exact Mass 159.08000
PSA 43.84000
LogP 2.03570
Index of Refraction 1.641
InChIKey ZVNYYNAAEVZNDW-UHFFFAOYSA-N
SMILES Nc1ccnn1-c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6108000
CHEMICAL NAME :
Pyrazole, 5-amino-1-phenyl-
CAS REGISTRY NUMBER :
826-85-7
BEILSTEIN REFERENCE NO. :
0123558
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N3
MOLECULAR WEIGHT :
159.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,295,1964

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36-S37-S39
HS Code 2933199090

 Synthetic Route

~91%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.; BRANCA, Danila; FERRIGNO, Federica; HERNANDO, Jose, Ignacio, Martin; JONES, Philip; KINZEL, Olaf; MALANCONA, Savina; MURAGLIA, Ester; PALUMBI, Maria, Cecilia; PESCATORE, Giovanna; SCARPELLI, Rita Patent: WO2010/23480 A1, 2010 ; Location in patent: Page/Page column 48 ;

~90%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: Bagley, Mark C.; Baashen, Mohammed; Paddock, Victoria L.; Kipling, David; Davis, Terence Tetrahedron, 2013 , vol. 69, # 39 p. 8429 - 8438

~92%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: Lynch; Khan; Teo; Pedrotti Canadian Journal of Chemistry, 1988 , vol. 66, # 3 p. 420-428

~83%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: Ege, Guenter; Franz, Hermann Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 1265 - 1266

~87%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: Ege, Guenter; Franz, Hermann Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 1267 - 1273

~0%

5-Amino-1-phenyl-1H-pyrazole Structure

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CAS#:826-85-7

Literature: Smolii, O.B.; Vydzhak, R. N.; Drach, B. S. J. Gen. Chem. USSR (Engl. Transl.), 1991 , vol. 61, # 11 p. 2607 - 2608,2419 - 2420

~%

5-Amino-1-phenyl-1H-pyrazole Structure

5-Amino-1-pheny...

CAS#:826-85-7

Literature: Journal of Heterocyclic Chemistry, , vol. 19, p. 1267 - 1273

~%

5-Amino-1-phenyl-1H-pyrazole Structure

5-Amino-1-pheny...

CAS#:826-85-7

Literature: US2858309 , ; Helvetica Chimica Acta, , vol. 41, p. 306,309

~%

5-Amino-1-phenyl-1H-pyrazole Structure

5-Amino-1-pheny...

CAS#:826-85-7

Literature: Journal of Heterocyclic Chemistry, , vol. 18, p. 747 - 750

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-phenylpyrazol-3-amine
EINECS 212-563-1
MFCD00020734
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