Grundinformationen
- Standard-SMILES
CC(C)Cn1cnc2c(Cl)nc3ccccc3c21- InChIKey
RRCWSLBKLVBFQD-UHFFFAOYSA-N- Summenformel
- C14H14ClN3
- Durchschnittliche Molmasse
- 259,73 g/mol
- Monoisotopische Masse
- 259,08762513
Namen und Bezeichner
- Bevorzugter Name
- 4-chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline
- IUPAC
- 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline
- Englischer Name
- 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline
- Summenformel
- C14H14ClN3
- Molmasse
- 259.73
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
99010-64-7- PubChem CID
- 383961
- DTXSID
DTXSID50327633- ChEMBL
CHEMBL192111- UNII
- NJ5E4GY4NY
- EC Number
- 619-386-2、939-507-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 30,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 297
Physikochemische Eigenschaften
- Schmelzpunkt
- 139 · 139-140 °C(Solv: isopropanol (67-63-0))
- Siedepunkt
- 427.5 · 427.5±48.0 °C(Predicted)
- Dichte
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.15 · 3.15±0.30(Predicted)
- Farbe
- White to Off-White
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C14H14ClN3/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3
- InChIKey
- RRCWSLBKLVBFQD-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C2N(CC(C)C)C=NC=2C=1Cl
- CAS Datenbank
- 99010 · 99010-64-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2934990002
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline is a chemical product that has been used as a photosynthetic activator in weed science and pest control. It has been shown to significantly increase the growth rate of wheat, soybean, and oilseed crops. It is also effective at controlling weeds by inhibiting their ability to produce chlorophyll, thereby preventing them from photosynthesizing. 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline has also been shown to be an effective herbicide for agricultural use.
VerwendenDesamino Chloroimiquimod (Imiquimod USP Related Compound C) is a pharmacologically active compound related to Imiquimod (I475000), an immune response modifier. It stimulates the production of Interferon-a.
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