Grundinformationen
- Standard-SMILES
CC1COc2ccccc2N1C(=O)C(Cl)Cl- InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N- Summenformel
- C11H11Cl2NO2
- Durchschnittliche Molmasse
- 260,11 g/mol
- Monoisotopische Masse
- 259,01668395
Überblick
Benoxacor is a benzoxazine.
Namen und Bezeichner
- Bevorzugter Name
- Benoxacor
- IUPAC
- 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
- Englischer Name
- Benoxacor
- Summenformel
- C11H11Cl2NO2
- Molmasse
- 260.12
Namen und Synonyme
BENOXACOR98730-04-2UAI2652GEVDTXSID30295722,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanoneEthanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-CGA-154281DTXCID8095724-(dichloroacetyl)-3,4-dihydro-3-methyl-2h-1,4-benzoxazineRefChem:117017619-372-6BRN 4190275
Weitere Namen anzeigen
SOFITprimextrasBRN4190275BRN-4190275Benoxacor 10BENOXACOR, 96%TCBENOXACOR STANDARD
CGA 154 2812,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanoneMFCD013118202H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-ethanone2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)ethan-1-oneBenoxacor [ISO]Benoxacor [ISO]
Datenbank-Bezeichner
- CAS
98730-04-2- PubChem CID
- 62306
- DTXSID
DTXSID3029572- ChEMBL
CHEMBL2269059- ChEBI
CHEBI:3016- UNII
- UAI2652GEV
- EC Number
- 619-372-6
- Nikkaji
- J438.573J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 273
Experimentelle und physikochemische Eigenschaften
PesticidesPesticide (Benoxacor) -> USDA PDB
Physical DescriptionLarge Crystals; Liquid; Other Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105-107°
- Siedepunkt
- 240 °C · 240°C (rough estimate)
- Dichte
- 1.3416 · 1.3416 (rough estimate)
- Dampfdruck
- 0.002 Pa · 0.002Pa at 25℃
- Brechungsindex
- 1.607 · 1.6070 (estimate)
- Flammpunkt
- 107 °C · >107 °C
- storage temp.
- 0 · 0-6°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 1.2 · 1.20±0.40(Predicted)
- Farbe
- Pale Brown to Light Brown
- Wasserlöslichkeit
- 38 mg/L · 38mg/L at 25℃
- BRN
- 4190275 · 4190275
- Henry's Law Constant
- 1.3 · 1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
- InChIKey
- PFJJMJDEVDLPNE-UHFFFAOYSA-N
- SMILES
- CC1COc2ccccc2N1C(=O)C(Cl)Cl
- LogP
- 2.6 at · 2.6 at 25℃
- CAS Datenbank
- 98730 · 98730-04-2(CAS DataBase Reference)
- NIST chemische Informationen
- Benoxacor(98730-04-2)
- EPA chemische Informationen
- Benoxacor (98730-04-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (82%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28351
Hazard Classes and CategoriesSkin Sens. 1 (82%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- DM3029000
- Toxizität
- LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Aquatic Chronic 1Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-: ACTIVE
Anwendungen
VerwendenHerbicide safener.
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