3-(3-chlorophenyl)-1H-pyrazol-5-amine

HCID 178507281CAS 208519-09-9

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Grundinformationen

Standard-SMILES: Nc1cc(-c2cccc(Cl)c2)n[nH]1
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
Summenformel: C9H8ClN3
Durchschnittliche Molmasse: 193,63 g/mol
Monoisotopische Masse: 193,040675

Namen und Bezeichner

Bevorzugter Name: 3-(3-chlorophenyl)-1H-pyrazol-5-amine
IUPAC: 5-(3-chlorophenyl)-1H-pyrazol-3-amine
Englischer Name: 3-(3-Chlorophenyl)-1H-pyrazol-5-amine
Summenformel: C9H8ClN3
Molmasse: 193.63

Namen und Synonyme

208519-09-93-(3-chlorophenyl)-1H-pyrazol-5-amine5-(3-chlorophenyl)-1H-pyrazol-3-amineDTXSID80396872RefChem:491909DTXCID10347731819-600-61H-Pyrazol-3-amine, 5-(3-chlorophenyl)-MFCD026642655-(3-Chloro-phenyl)-2H-pyrazol-3-ylamine5-AMINO-3-(3-CHLOROPHENYL)PYRAZOLE3-Amino-5-(3-chlorophenyl)-1H-pyrazole

Weitere Namen anzeigen

ZINC042346905-(3-chlorophenyl)-1H-pyrazole-3-amine[5-(3-chlorophenyl)-1H-pyrazol-3-yl]amine

STK889348AKOS004912490AA-0869AB12106F3379-0346Z3170422403-(3-chlorophenyl)pyrazole-5-ylamine5-Amino-3-(3-chlorophenyl)-1H-pyrazole

Datenbank-Bezeichner

CAS: 208519-09-9
PubChem CID: 3820802

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 54,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140°C
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
InChI: 1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
SMILES: Nc1cc(n[nH]1)-c2cccc(Cl)c2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.