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| CAS No.: | 572-48-5 |
|---|---|
| Name: | DITION |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C17H21 O5 P S |
| Molecular Weight: | 368.39 |
| Synonyms: | 1-Cyclohexene-1-carboxylicacid, 2-(2,4-dihydroxyphenyl)-, d-lactone, O,O-diethyl phosphorothioate (6CI); 1-Cyclohexene-1-carboxylicacid, 2-(2,4-dihydroxyphenyl)-, d-lactone, O-ester with O,O-diethyl phosphorothioate (7CI); Phosphorothioicacid, O,O-diethyl ester, O-ester with 7,8,9,10-tetrahydro-3-hydroxy-6H-dibenzo[b,d]pyran-6-one(8CI); 6H-Dibenzo[b,d]pyran, phosphorothioic acid deriv.; Coumithoate; Diethyl7,8,9,10-tetrahydro-6-oxobenzo[c]chroman-3-yl phosphorothioate; Dithion;Dithione; Dition; O,O-Diethyl O-(7,8,9,10-tetrahydro-6-oxobenzo[c]chroman-3-yl)phosphorothioate |
| Density: | 1.31g/cm3 |
| Melting Point: | 88-88.5° |
| Boiling Point: | 485.9°Cat760mmHg |
| Flash Point: | 247.6°C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | Poison by ingestion. When heated to decomposition it emits very toxic fumes of POx and SOx. See also PARATHION. |
| PSA: | 99.80000 |
| LogP: | 4.99870 |
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Chemistry
Molecule structure of Dithion (CAS NO.572-48-5) :
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IUPAC Name: 3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Molecular Weight: 368.384401 g/mol
Molecular Formula: C17H21O5PS
Density: 1.31 g/cm3
Melting Point: 88.25 deg C
Boiling Point: 485.9 °C at 760 mmHg
Flash Point: 247.6 °C
Index of Refraction: 1.584
Molar Refractivity: 93.86 cm3
Molar Volume: 280.3 cm3
Polarizability: 37.21*10-24 cm3
Surface Tension: 54.4 dyne/cm
Enthalpy of Vaporization: 75.15 kJ/mol
Vapour Pressure: 1.36E-09 mmHg at 25 °C
log P (octanol-water): 5.400
Atmospheric OH Rate Constant: 1.39E-10 cm3/molecule-sec
XLogP3-AA: 4.7
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 368.084731
MonoIsotopic Mass: 368.084731
Topological Polar Surface Area: 54
Heavy Atom Count: 24
Complexity: 551
Canonical SMILES: CCOP(=S)(OCC)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI: InChI=1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3
InChIKey of Dithion (CAS NO.572-48-5) : NSMRHYDOKZAMKJ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:67 mg/kg | PHJOAV Pharmaceutical Journal. 185 (1960),361. | ||
| 2. | orl-mus LD50:3800 mg/kg | 28ZEAL Pesticide Index. 5 (1976),56. | ||
| 3. | orl-dog LD50:400 mg/kg | 28ZEAL Pesticide Index. 5 (1976),56. | ||
| 4. | orl-rbt LD50:500 mg/kg | 28ZEAL Pesticide Index. 5 (1976),56. | ||
| 5. | orl-gpg LD50:200 mg/kg | 28ZEAL Pesticide Index. 5 (1976),56. |
Safety Profile
Poison by ingestion. When heated to decomposition it emits very toxic fumes of POx and SOx. See also PARATHION.
Hazard Codes: 
T
Risk Statements: 25
R25: Toxic if swallowed.
Safety Statements: 28-36/37-45
S28: After contact with skin, wash immediately with plenty of soap-suds.
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.)
RIDADR: 2783
HazardClass: 6.1(b)
PackingGroup: III
Specification
Dithion (CAS NO.572-48-5) is also called 1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydorxyphenyl)-, delta-lactone, O,O-diethyl phosphorothioate ; 2-(2,4-Dihydroxyphenyl)-1-cyclohexene-1-carboxylic acid gamma-lactone O,O-diethyl phosphorothioate ; 4-18-00-00514 (Beilstein Handbook Reference) ; 7-Hydroxy-3,4-tetramethylenecoumarin O,O-diethyl thiophosphate ; BRN 0049344 ; Caswell No. 345A ; Coumithoate [ISO] ; Diethyl 7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl phosphorothioate ; Dition Insecticide ; ENT-24986 ; O,O-Diethyl 7-hydroxy-3,4-tetramethylene coumarinyl phosphorothioate ; O,O-Diethyl O-(7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl)phosphorothioate ; Phosporothioic acid, O,O-diethyl ester, O-ester with 7,8,9,10-tetrahydro-3-hydroxy-6H-dibenzo(b,d)pyran-6-one .