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5707-69-7

Basic Information
CAS No.: 5707-69-7
Name: DRAZOXOLON
Article Data: 9
Molecular Structure:
Molecular Structure of 5707-69-7 (DRAZOXOLON)
Formula: C10H8 Cl N3 O2
Molecular Weight: 237.645
Synonyms: 4,5-Isoxazoledione,3-methyl-, 4-[(2-chlorophenyl)hydrazone] (9CI); 4,5-Isoxazoledione, 3-methyl-,4-[(o-chlorophenyl)hydrazone] (7CI,8CI);3-Methyl-4-(2-chlorophenylhydrazono)-2-isoxazolin-5-one;3-Methyl-4-(o-chlorophenylhydrazono)-5-isoxazolone;3-Methyl-4-[(o-chlorophenyl)hydrazone]-4,5-isoxazoledione;4-(2-Chlorophenylhydrazono)-3-methyl-5(4H)-isoxazolone;4-(2-Chlorophenylhydrazono)-3-methyl-5-isoxazolone;4-o-Chlorophenylhydrazono-3-methyl-5-isoxazolone; Drazoxolon; Hydrazolon; JF1633; JF 2067; JF 800; Mil-Col (pesticide); Milcol; PP 781; R 22395
Density: 1.45g/cm3
Melting Point: 168℃
Boiling Point: 321.8°Cat760mmHg
Flash Point: 148.4°C
Appearance: white to light yellow crystal powder
Hazard Symbols: Toxic by ingestion.
Risk Codes: R25; R50/53
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl and NOx.
PSA: 63.05000
LogP: 1.54920
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Chemistry

Molecule structure of 3-Methyl-4,5-isoxazoledione-4-((2-chlorophenyl)hydrazone) (CAS NO.5707-69-7) :

IUPAC Name: (4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one 
Molecular Weight: 237.64242 g/mol
Molecular Formula: C10H8ClN3O2 
Density: 1.45 g/cm
Melting Point: 168 deg C
Boiling Point: 321.8 °C at 760 mmHg 
Flash Point: 148.4 °C
Index of Refraction: 1.648
Molar Refractivity: 59.34 cm3
Molar Volume: 162.9 cm3
Polarizability: 23.52*10-24 cm3
Surface Tension: 51.4 dyne/cm 
Enthalpy of Vaporization: 56.35 kJ/mol
Vapour Pressure: 0.000292 mmHg at 25 °C 
log P (octanol-water): 2.440
Atmospheric OH Rate Constant: 1.26E-11 cm3/molecule-sec
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 237.030504
MonoIsotopic Mass: 237.030504
Topological Polar Surface Area: 63.1
Heavy Atom Count: 16
Complexity: 354
Canonical SMILES: CC1=NOC(=O)C1=NNC2=CC=CC=C2Cl
Isomeric SMILES: CC\1=NOC(=O)/C1=N\NC2=CC=CC=C2Cl
InChI: InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3/b13-9-
InChIKey: OOTHTARUZHONSW-LCYFTJDESA-N
EINECS: 227-197-8 
Merck: 13,3478

Toxicity Data With Reference

1.    

orl-rat LD50:126 mg/kg

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1980,D117.
2.    

ipr-rat LD50:20 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 7 (1969),481.
3.    

orl-mus LD50:129 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 7 (1969),481.
4.    

orl-dog LDLo:20 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 7 (1969),481.
5.    

orl-rbt LDLo:100 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 7 (1969),481.
6.    

orl-cat LD50:50 mg/kg

    31ZOAD    Pesticide Manual. 1 (1968),195.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl and NOx.
Hazard Codes: ToxicT, DangerousN
Risk Statements: 25-50/53
R25: Toxic if swallowed 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 22-24-36/37-45-60-61
S22: Do not breathe dust 
S24: Avoid contact with skin 
S36/37: Wear suitable protective clothing and gloves 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible) 
S60: This material and its container must be disposed of as hazardous waste 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: 2588
RTECS: NY2800000
HazardClass: 6.1(b)
PackingGroup: III

Specification

  3-Methyl-4,5-isoxazoledione-4-((2-chlorophenyl)hydrazone) (CAS NO.5707-69-7) is also called 3-Methyl-2-isoxazoline-4,5-dione 4-((2-chlorophenyl)hydrazone) ; 3-Methyl-4,5-isoxazoledione 4-((o-chlorophenyl)hydrazone) (8CI) ; 3-Methyl-4-((o-chlorophenyl)hydrazone)-4,5-isoxazoledione ; 3-Methyl-4-(o-chlorophenylhydrazono)-5-isoxazolone ; 4-((o-Chlorophenyl)hydrazono)-3-methyl-2-isoxazolin-5-one ; 4-(2-Chlorophenylhydrazone)-3-methyl-5-isoxazolone ; 4-(2-Chlorophenylhydrazono)-3-methyl-5(4H)-isoxazolone ; Drazoxolon ; Drazoxolone ; Sopracol . 3-Methyl-4,5-isoxazoledione-4-((2-chlorophenyl)hydrazone) (CAS NO.5707-69-7) is high toxic. It will produce toxic nitrogen oxide and chloride gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 3-Methyl-4,5-isoxazoledione-4-((2-chlorophenyl)hydrazone) (CAS NO.5707-69-7) separate from raw materials of food.