Grundinformationen
- Standard-SMILES
COCCN(C(=O)CCl)c1c(C)cccc1C- InChIKey
SCCDDNKJYDZXMM-UHFFFAOYSA-N- Summenformel
- C13H18ClNO2
- Durchschnittliche Molmasse
- 255,74 g/mol
- Monoisotopische Masse
- 255,1026065
Namen und Bezeichner
- Bevorzugter Name
- Dimethachlor
- IUPAC
- 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide
- Lokaler Name
- 2-Chlor-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamid
- Englischer Name
- DIMETHACHLOR
- Summenformel
- C13H18ClNO2
- Molmasse
- 255.74
Namen und Synonyme
DIMETHACHLOR50563-36-5Teridox2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamideDimethachloreDimethachlor [BSI:ISO]Dimethachlor [ISO]Dimethachlore [ISO-French]DimethachloroAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-EINECS 256-625-6UNII-3G91ARZ496
Weitere Namen anzeigen
a4766a5089CGA-17024imethachlorDimethochlorHarness(Mohasnto)dimethachlor (bsi,iso,wssa)
BRN 29829912-Chloro-N-(2-methoxyethyl)acet-2',6'-xylidide3G91ARZ496A 4766A 5089CGA-170202,6-Dimethyl-N-(2-methoxyethyl)chloroacetanilide2,6-Acetoxylidide, 2-chloro-N-(2-methoxyethyl)-
Datenbank-Bezeichner
- CAS
50563-36-5- PubChem CID
- 39722
- DTXSID
DTXSID3058111- ChEMBL
CHEMBL1374401- ChEBI
CHEBI:81911- UNII
- 3G91ARZ496
- EC Number
- 256-625-6
- Nikkaji
- J10.486H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 238
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1847.7
1863
Collision Cross Section
151.68 Ų [M+H]+；165.1 Ų [M+Na]+
151.73 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]；150.68 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physikochemische Eigenschaften
- Schmelzpunkt
- 46 °C · 46°C
- Siedepunkt
- 320 °C · 320°C (rough estimate)
- Dichte
- 1.1266 · 1.1266 (rough estimate)
- Brechungsindex
- 1.527 · 1.5270 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- 1.57 · 1.57±0.50(Predicted)
- BRN
- 2982991 · 2982991
- Henry's Law Constant
- 5.9 · 5.9×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3
- InChIKey
- SCCDDNKJYDZXMM-UHFFFAOYSA-N
- SMILES
- COCCN(C(=O)CCl)c1c(C)cccc1C
- EPA chemische Informationen
- Dimethachlor (50563-36-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Acute toxicity - category 4；Skin sensitisation - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1
Acute Tox. 4 *；Skin Sens. 1；Aquatic Acute 1；Aquatic Chronic 1
Regulatorische Informationen
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN3077 9/PG 3
- RTECS-Nr.
- AB5438000
- risk_code
- 22-43-50/53
- hazard_code
- Xn,N
- safety_code
- 24-37-60-61
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Pharmaceuticals
Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides
Environmental transformation -> Pesticides (parent, predecessor)
General Manufacturing InformationAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-: INACTIVE
Anwendungen
VerwendenDimethachlor is a pesticide.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: An organochlorine compound that is 2-chloroacetamide substituted by a 2-methoxyethyl and a 2,6-dimethylphenyl group at the nitrogen atom.
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