Grundinformationen
- Standard-SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1- InChIKey
UISUNVFOGSJSKD-UHFFFAOYSA-N- Summenformel
- C20H9Cl3F5N3O3
- Durchschnittliche Molmasse
- 540,6 g/mol
- Monoisotopische Masse
- 538,962965
Namen und Bezeichner
- Bevorzugter Name
- Chlorfluazuron
- IUPAC
- N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide
- Englischer Name
- Chlorfluazuron
- Summenformel
- C20H9Cl3F5N3O3
- Molmasse
- 540.66
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
71422-67-8- PubChem CID
- 91708
- DTXSID
DTXSID5041772- ChEMBL
CHEMBL2251411- ChEBI
CHEBI:39370- UNII
- Q42JG8449K
- EC Number
- 615-292-0
- Nikkaji
- J120.379G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,7
- Polarare Oberfläche (TPSA)
- 80,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 715
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
224.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041772];221.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041772];225.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041772]
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 ℃ · approximate 220℃
- Dichte
- 1.5919 · 1.5919 (estimate)
- Dampfdruck
- -5 mPa · -5 mPa (20 °C)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- pka
- 8.1 · 8.10 (acid)
- Wasserlöslichkeit
- -1 · -1(20 °C)
- BRN
- 8369967 · 8369967
- Henry's Law Constant
- 8.2 · 8.2×106 mol/(m3Pa) at 25℃, Keshavarz et al. (2022)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
- InChIKey
- UISUNVFOGSJSKD-UHFFFAOYSA-N
- SMILES
- C(NC(NC1=CC(Cl)=C(OC2=NC=C(C(F)(F)F)C=C2Cl)C(Cl)=C1)=O)(=O)C1=C(F)C=CC=C1F
- CAS Datenbank
- 71422 · 71422-67-8(CAS DataBase Reference)
- EPA chemische Informationen
- Chlorfluazuron (71422-67-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 58.6% (41 of 70) of all reports.
Warning
H319 (41.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (41.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (41.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 41 of 70 reports by companies.;There are 2 notifications provided by 29 of 70 reports by companies with hazard statement code(s).;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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3077
- RTECS-Nr.
- CV3459580
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
Chemie und Industrie
Anwendungen
VerwendenChlorfluazuron is benzoyl(pyridiyloxyphenyl)urea based pesticide that acts as a chitin synthesis inhibitor. Chlorfluazuron is commonly used in agriculture as an insect growth regulator for controlling the major insect pests in crops
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