5-Chlor-1H-indazol

1H-Indazole, 5-chloro-

HCID 69681CAS 698-26-0

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Grundinformationen

Standard-SMILES: Clc1ccc2[nH]ncc2c1
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
Summenformel: C7H5ClN2
Durchschnittliche Molmasse: 152,58 g/mol
Monoisotopische Masse: 152,0141259

Namen und Bezeichner

Bevorzugter Name: 1H-Indazole, 5-chloro-
IUPAC: 5-chloro-1H-indazole
Lokaler Name: 5-Chlor-1H-indazol
Englischer Name: 5-Chloro (1H)indazole
Summenformel: C7H5ClN2
Molmasse: 152.58

Namen und Synonyme

5-Chloro-1H-indazole1H-Indazole, 5-chloro-5-ChloroindazoleEINECS 211-812-1NSC 78434BRN 00032605-23-06-00175 (Beilstein Handbook Reference)DTXSID70220091RefChem:79838DTXCID70142582211-812-1FVNCILPDWNBPLK-UHFFFAOYSA-N

Weitere Namen anzeigen

5-chloro-1h-indazol5-chloro-3a,7a-dihydro-1H-indazole5-chloro-1H-indazole(SALTDATA: FREE)

698-26-0MFCD000227855-CHLORO INDAZOLE5-CHLORO (1H)INDAZOLECHEMBL2467465-chloro-2H-indazoleNSC78434A1EGB

Datenbank-Bezeichner

CAS: 698-26-0
PubChem CID: 69681
DTXSID: DTXSID70220091
ChEMBL: CHEMBL246746
EC Number: 211-812-1
Nikkaji: J41.009H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119-120 °C(Solv: water (7732-18-5))
Siedepunkt: 309.5 · 309.5±15.0 °C(Predicted)
Dichte: 1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
pka: 12.81 · 12.81±0.40(Predicted)
InChI: 1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
SMILES: Clc1ccc2[nH]ncc2c1

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.