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148477-71-8

148477-71-8 structural image
Product Name: Spirodiclofen
Formula: C21H24Cl2O4
Synonyms: 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylbutyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White powder
Odor No characteristic odor
Melting Point 94.8 °C
Solubility In n-heptane 20, polyethylene glycol 24, n-octanol 44, isopropanol 47, DMSO 75, acetone, dichlormethane, ethyl acetate, acetonitrile and xylene >250 (all in g/L, 20 °C)
Density 1.29
Vapor Pressure 7X10-7 Pa /5.25X10-9 mm Hg/ at 25 °C
LogP log Kow = 5.8 (pH 4); 5.1 (pH 7); both ambient temperature
Stability/Shelf Life Hydrolysis DT50 119.6 days (pH 4), 51.2 days (pH 7), 2.5 days (pH 9) (all 20 °C).
Kovats Retention Index 2690

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H350:Carcinogenicity
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 411.3 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 410.1051646 g/mol
Monoisotopic Mass 410.1051646 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 634
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Spirodiclofen is an organochlorine acaricide, a dichlorobenzene, an oxaspiro compound and a gamma-lactone. It is functionally related to a 1,3-dichlorobenzene.