3-Amino-5-phenylpyrazole

HCID 136655CAS 1572-10-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
Nc1cc(-c2ccccc2)[nH]n1
InChIKey
PWSZRRFDVPMZGM-UHFFFAOYSA-N
Summenformel
C9H9N3
Durchschnittliche Molmasse
159,19 g/mol
Monoisotopische Masse
159,0796473

Namen und Bezeichner

Bevorzugter Name
3-Amino-5-phenylpyrazole
IUPAC
5-phenyl-1H-pyrazol-3-amine
Englischer Name
3-Amino-5-phenylpyrazole
Summenformel
C9H9N3
Molmasse
159.19

Namen und Synonyme

3-Phenyl-1H-pyrazol-5-amine3-Amino-5-phenylpyrazoleRefChem:497432626-099-6673-954-41572-10-75-phenyl-1H-pyrazol-3-amine827-41-85-Amino-3-phenylpyrazole1H-Pyrazol-3-amine, 5-phenyl-MFCD001917495-Phenyl-2H-pyrazol-3-ylamine
Weitere Namen anzeigen
AKOS 92617AKOS B003768BUTTPARK 30\09-86TIMTEC-BB SBB005555SALOR-INT L317837-1EALABOTEST-BB LT000806565-amino-3-phenyl-pyrazol
1h-pyrazol-5-amine, 3-phenyl-5-phenyl-1h-pyrazol-3-ylamineCHEMBL16502694-25-00-02617 (Beilstein Handbook Reference)BBL013022CS-W021972HY-W041232AA-0871

Datenbank-Bezeichner

CAS
1572-10-7、827-41-8
PubChem CID
136655
DTXSID
DTXSID80935629
ChEMBL
CHEMBL1650269
EC Number
626-099-6、673-954-4
Nikkaji
J593.495H、J884.051B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
54,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
124 · 124-127 °C (lit.)
Siedepunkt
442.3 · 442.3±33.0 °C(Predicted)
Dichte
1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
DMSO, Methanol
pka
14.8 · 14.80±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
hs_code
29331990
RTECS-Nr.
UQ6109000
risk_code
36/37/38
Toxizität
mouse,LDLo,intraperitoneal,630mg/kg (630mg/kg),Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.
hazard_code
Xi

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Amino-5-phenylpyrazole ((3-phenyl-1H-pyrazol-5-amine) may be used in the synthesis of the following:Urea derivatives by reaction with azido(6-(benzofuran-2-yl)-2-methylpyridin-3-yl) methanone.2-Mercaptoacetamide analogs by treating with thioglycolic acid.3-(Substituentpyrimidayl)-5,6-benzocoumarins by treating with 3-(2′-formyl-1′-chlorovinyl)-5,6-benzocoumarin.Substituted 2,7-diphenylpyrazolo[1,5-a]pyrimidine-5-carboxylic esters by reacting with substituted β-diketo esters.N-ethoxycarbonylthiourea derivative by reacting with ethoxycarbonyl isothiocyanate.Heterobiaryl pyrazolo[3,4-b]pyridines by reacting with indole-3-carboxaldehyde.

Vor- und nachgelagerte Produkte

Anbieter47 Anbieter

上海腾准生物科技有限公司19821570922 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Zugehörige Reaktionen

65
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…