5-Amino-3-(4-methylphenyl)pyrazole

HCID 736768CAS 78597-54-3

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Grundinformationen

Standard-SMILES: Cc1ccc(-c2cc(N)n[nH]2)cc1
InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N
Summenformel: C10H11N3
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,09529735

Namen und Bezeichner

Bevorzugter Name: 5-Amino-3-(4-methylphenyl)pyrazole
IUPAC: 5-(4-methylphenyl)-1H-pyrazol-3-amine
Englischer Name: 5-AMINO-3-(4-METHYLPHENYL)PYRAZOLE
Summenformel: C10H11N3
Molmasse: 173.21

Namen und Synonyme

5-Amino-3-(4-methylphenyl)pyrazole5-(4-methylphenyl)-1h-pyrazol-3-amineRefChem:532243624-861-278597-54-35-(P-tolyl)-1H-pyrazol-3-amine3-Amino-5-(4-methylphenyl)-1H-pyrazole151293-15-1895042-38-33-Amino-5-p-Tolylpyrazole3-(4-methylphenyl)-1H-pyrazol-5-amine1H-Pyrazol-3-amine, 5-(4-methylphenyl)-

Weitere Namen anzeigen

BUTTPARK 48\12-73SALOR-INT L317845-1EA3-tosyl-1H-pyrazol-5-amine5-p-Tolyl-1H-pyrazol-3-amine5-AMino-4-(Methylphenyl)pyrazole3-Amino-5-(4-methylphenyl)pyrazole

MFCD000848873-p-tolyl-1h-pyrazol-5-amine5-(4-methylphenyl)-2H-pyrazol-3-amineBAS 00705173SCHEMBL1143959HMS1501F20AB031623-(4-methylphenyl)pyrazole-5-ylamine

Datenbank-Bezeichner

CAS: 78597-54-3
PubChem CID: 736768
DTXSID: DTXSID10934221
ChEMBL: CHEMBL1483289
EC Number: 624-861-2
Nikkaji: J1.717.398G、J938.772B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 54,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-151 °C (lit.)
Siedepunkt: 438 · 438.0±33.0 °C(Predicted)
Dichte: 1.196 · 1.196±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 14.8 · 14.80±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White to off-white
InChI: 1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)-c2cc(N)[nH]n2
CAS Datenbank: 78597 · 78597-54-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933199090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Amino-3-(4-methylphenyl)pyrazole may be used:As a starting material for preparing 2,5-bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbaldehyde, a potential precursor for building bioactive fused polycyclic pyrazoles. To synthesize 4-hetarylpyrazolo[1,5-a][1,3,5]triazines under microwave conditions and in the absence of solvent.To synthesize 5-cyano-6,7-dihydro-3-(4-methylphenyl)-6-oxo-1H-pyrazolo[3,4-b]pyridine-4-carboxylates by reacting with dialkyl dicyanofumarates.