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3-(Sulfonyl)-O-((methylamino)carbonyl)oxime-2-butanone

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Name

3-(Sulfonyl)-O-((methylamino)carbonyl)oxime-2-butanone

EINECS 252-140-9
CAS No. 34681-23-7 Density 1.268 g/cm3
PSA 93.21000 LogP 1.62310
Solubility N/A Melting Point 83°C
Formula C7H14N2O4S Boiling Point N/A
Molecular Weight 222.265 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 34681-23-7 (BUTOXYCARBOXIM) Hazard Symbols HarmfulXn
Synonyms

Butocarboximsulfone;Butoxycarboxim;Co 859;

 

3-(Sulfonyl)-O-((methylamino)carbonyl)oxime-2-butanone Specification

This chemical is called 3-(Sulfonyl)-O-((methylamino)carbonyl)oxime-2-butanone, and it can also be named as Butoxycarboxim [BSI:ISO]. With the molecular formula of C7H14N2O4S, its molecular weight is 222.26. The CAS registry number of this chemical is 34681-23-7, and its product categories are A-BAlphabetic; Alpha sort; B; BI - BZPesticides; Carbamates; Insecticides; Pesticides & Metabolites. However, this chemical is harmful if swallowed, please be careful when you use it.

Other characteristics of the 3-(Sulfonyl)-O-((methylamino)carbonyl)oxime-2-butanone can be summarised as followings: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 93.21 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 52.165 cm3; (15)Molar Volume: 175.318 cm3; (16)Polarizability: 20.68×10-24cm3; (17)Surface Tension: 39.686 dyne/cm; (18)Density: 1.268 g/cm3.

You can still convert the following datas into molecular structure:
1.Smiles: C(\[C@@H](S(C)(=O)=O)C)(=N\OC(NC)=O)C
2.InChI: InChI=1/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 367mg/kg (367mg/kg)   Pesticide Manual. Vol. 9, Pg. 110, 1991.
rabbit LD50 oral 275mg/kg (275mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LD50 oral 458mg/kg (458mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C34, 1991.
rat LD50 skin > 11gm/kg (11000mg/kg)   Pesticide Manual. Vol. 9, Pg. 110, 1991.
rat LD50 subcutaneous 288mg/kg (288mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.

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