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Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester
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Name

Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester

 EINECS N/A
CAS No. 5598-52-7 Density 1.564g/cm3
PSA 67.46000 LogP 3.82150
Solubility 0.3g/L(24 oC) Melting Point 86.5-88°
Formula C7H7 Cl3 N O4 P Boiling Point 328.1°Cat760mmHg
Molecular Weight 306.47 Flash Point 152.3°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, POx, and NOx. See also ESTERS. Risk Codes 22-50
Molecular Structure Molecular Structure of 5598-52-7 (CHLORPYRIFOS-METHYL-OXON) Hazard Symbols Xn,N
Synonyms

Phosphoricacid, dimethyl 3,5,6-trichloro-2-pyridyl ester (7CI,8CI); 2-Pyridinol,3,5,6-trichloro-, dimethyl phosphate (ester) (8CI); 3,5,6-Trichloro-2-pyridyldimethyl phosphate; Chlorpyrifos-methyl oxon; Dimethyl3,5,6-trichloro-2-pyridyl phosphate; Dowco 217; Fospirat; Fospirate;Fospirate-methyl; O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphate;O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphate; Torelle

Article Data 1

Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester Chemical Properties

IUPAC Name: dimethyl (3,5,6-trichloropyridin-2-yl) phosphate
Synonyms of Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester (CAS NO.5598-52-7): AI3-27521 ; BRN 1541077 ; Caswell No. 465CC ; Chlorpyrifos-methyl oxon ; Dimethyl 3,5,6-trichloro-2-pyridyl phosphate ; Dimethyl-3,5,6-trichlor-2-pyridylfosfat ; Dimethyl-3,5,6-trichlor-2-pyridylfosfat [Czech] ; Dowco 217 ; ENT 27521 ; EPA Pesticide Chemical Code 103501 ; Fospirat ; Fospirate ; Fospirate [ANSI] ; Fospirate methyl ; Fospirato ; Fospirato [INN-Spanish] ; Fospiratum ; Fospiratum [INN-Latin] ; NSC 195058 ; OMS 1168 ; Torelle ; UNII-7DRC4KN503 ; Dimethyl-(3,5,6-trichloro-2-pyridyl) phosphate ; Phosphoric acid, dimethyl 3,5,6-trichloro-2-pyridinyl ester
CAS NO: 5598-52-7 
Molecular Formula of Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester (CAS NO.5598-52-7): C7H7Cl3NO4P
Molecular Weight: 306.4675                      
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 67.46 Å2
Index of Refraction: 1.532
Molar Refractivity: 60.7 cm3
Molar Volume: 195.8 cm3
Surface Tension: 48.4 dyne/cm
Density: 1.564 g/cm3
Flash Point: 152.3 °C
Enthalpy of Vaporization: 54.79 kJ/mol
Boiling Point: 328.1 °C at 760 mmHg
Vapour Pressure: 0.000369 mmHg at 25°C
Molecular Structure:

Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 100mg/kg (100mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 45, 1978.
mammal (species unspecified) LD50 unreported 869mg/kg (869mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 712, 1979.
mouse LD50 oral 225mg/kg (225mg/kg)   Archives of Toxicology. Vol. 34, Pg. 103, 1975.
rat LD50 oral 869mg/kg (869mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 45, 1978.

Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester Safety Profile

Hazard Codes of Phosphoric acid, dimethyl-3,5,6-trichloro-2-pyridyl ester (CAS NO.5598-52-7): HarmfulXn
Risk Statements: 22 
R22: Harmful if swallowed.
RTECS: TC5450000
Poison by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, POx, and NOx. See also ESTERS.

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