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| CAS No.: | 82558-50-7 |
|---|---|
| Name: | ISOXABEN |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C18H24 N2 O4 |
| Molecular Weight: | 332.4 |
| Synonyms: | Benzamizole;Cent 7; EL 107; Flexidor; Gallery; Isoxaben; NA 8318; X-Pand |
| Density: | 1.138g/cm3 |
| Melting Point: | 175-179 °C |
| Boiling Point: | 427.8oC at 760 mmHg |
| Flash Point: | 212.6oC |
| Hazard Symbols: |
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| Risk Codes: | 53-40 |
| Safety: | A poison by skin contact. Moderately toxic by inhalation and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 73.59000 |
| LogP: | 3.61400 |
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Chemistry
Product Name: Isoxaben (CAS NO.82558-50-7)
Molecular Formula: : C18H24N2O4
Molecular Weight: 332.39g/mol
Mol File: 82558-50-7.mol
Einecs: 407-190-8
Melting Point: 175-179 °C
Storage Temperature: 0-6°C
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Isoxaben (CAS NO.82558-50-7):
IUPAC Name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
Canonical SMILES: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI: InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChIKey: PMHURSZHKKJGBM-UHFFFAOYSA-N
Product Categories: Alpha sort; Alphabetic; AmidePesticides&Metabolites; Herbicides; H-MAnalytical Standards; I; Pesticides&Metabolites
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 5gm/kg (5000mg/kg) | Defense des Vegetaux. Vol. 39(233), Pg. 2, 1985. | |
| mouse | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A670, Pg. 1984, | |
| mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982. | |
| quail | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 510, 1991. | |
| rabbit | LD50 | skin | > 200mg/kg (200mg/kg) | Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982. | |
| rat | LC50 | inhalation | > 1990mg/m3 (1990mg/m3) | Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982. | |
| rat | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A670, Pg. 1984, | |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982. |
Safety Profile
A poison by skin contact. Moderately toxic by inhalation and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of Isoxaben (CAS NO.82558-50-7):
Hazard Codes: Xn
Risk Statements: 53-40
40: Limited evidence of a carcinogenic effect
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 61-36
36: Wear suitable protective clothing
61: Avoid release to the environment. Refer to special instructions safety data sheet
Specification
Isoxaben ,its CAS NO. is 82558-50-7,the synonyms is 2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide ; Benzamizole ; Caswell No. 419F ; Cent 7 ; Compound 121607 ; EL 107 ; EPA Pesticide Chemical Code 125851 ; Flexidor ; Gallery ; HSDB 6691 ; N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide ; NA 8318 ; Prolan ; X-Pand ; Benzamide, 2,6-dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)- ; Benzamide, N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxy- .