Quinmerac
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Grundinformationen
- CAS
90717-03-6- Standard-SMILES
Cc1cnc2c(C(=O)O)c(Cl)ccc2c1- InChIKey
ALZOLUNSQWINIR-UHFFFAOYSA-N- Summenformel
- C11H8ClNO2
- Durchschnittliche Molmasse
- 221,64 g/mol
- Monoisotopische Masse
- 221,02435618
Überblick
Quinmerac is a quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. It has a role as a herbicide, a synthetic auxin and an environmental contaminant. It is a quinolinemonocarboxylic acid and an organochlorine compound.
Namen und Bezeichner
- Bevorzugter Name
- Quinmerac
- IUPAC
- 7-chloro-3-methylquinoline-8-carboxylic acid
- Englischer Name
- QUINMERAC
- Summenformel
- C11H8ClNO2
- Molmasse
- 221.64
Namen und Synonyme
Quinmerac90717-03-67-Chloro-3-methylquinoline-8-carboxylic acid7-Chloro-3-methyl-8-quinolinecarboxylic acidBAS 5187-Chloro-3-methyl-quinoline-8-carboxylic acidDTXSID10423640OFY83UPMHDTXCID9022364CHEBI:84199BAS-518RefChem:178217
Weitere Namen anzeigen
bas518FIESTAGAVELANBAS113Wbas518hbas51802hBUTISAN STAR7-Chloro-3-Methyl-C16708000 Quinmerac
402-790-6618-627-98-Quinolinecarboxylic acid, 7-chloro-3-methyl-MFCD00145199BAS 518HQuinmerac [ISO:BSI]BAS 51802HQuinmerac [ISO]
Datenbank-Bezeichner
- CAS
90717-03-6- PubChem CID
- 91749
- DTXSID
DTXSID1042364- ChEMBL
CHEMBL2448918
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 50,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 259
Experimentelle und physikochemische Eigenschaften
Pesticides
Herbicides
Active substance -> EU Pesticides database: Approved
Herbicides
Dissociation Constants3.96
Collision Cross Section158.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042364]
Physikochemische Eigenschaften
- Schmelzpunkt
- 244 °C · 244°C
- Siedepunkt
- 416 · 416.0±40.0 °C(Predicted)
- Dichte
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature, under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- -2.84 · -2.84±0.10(Predicted)
- Farbe
- Pale Yellow to Pale Beige
- Merck
- 13 · 13,8158
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
H412 (99.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1490/2002
2010/89/EU, Reg. (EU) 2020/2007, Reg. (EU) 2024/1206 , Reg. (EU) No 2018/1260, Reg. (EU) No 540/2011
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5022
Hazard Classes and Categories
Not Classified
Aquatic Chronic 3 (99.4%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29333990
- RTECS-Nr.
- VB1981800
- Toxizität
- LD50 in rats (mg/kg): >5000 orally, >2000 dermally (Wuerzer)
- hazard_code
- T
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationHerbicides
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.
Zugehörige Reaktionen
4
Notizen zur Verbindung
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