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| CAS No.: | 1491-41-4 |
|---|---|
| Name: | 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-[(diethoxyphosphinyl)oxy]- |
| Molecular Structure: | |
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| Formula: | C16H16NO6P |
| Molecular Weight: | 349.28 |
| Synonyms: | Naphthalimide,N-hydroxy-, diethyl phosphate (6CI,7CI,8CI);2-[(Diethoxyphosphinyl)oxy]-1H-benz[de]isoquinoline-1,3(2H)-dione;2-[(Diethoxyphosphoryl)oxy]-1H-benzo[de]isochinolin-1,3(2H)-dion;Maretin;N-Hydroxynaphthalimide diethyl phosphate;Naphthalophos;O,O-Diethyl N-hydroxynaphthalimide phosphate;Rametin; |
| EINECS: | 216-078-6 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 174-179° |
| Boiling Point: | 487.3 °C at 760 mmHg |
| Flash Point: | 248.5 °C |
| Solubility: | N/A |
| Appearance: | white powder |
| Hazard Symbols: |
 T
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| Risk Codes: | 24/25 |
| Safety: | 36/37-45 |
| Transport Information: | UN 2783 |
| PSA: | 93.64000 |
| LogP: | 2.56240 |
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The CAS registry number of is 1491-41-4. Its EINECS registry number is 216-078-6. The IUPAC name is (1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate. In addition, the molecular formula is C16H16NO6P and the molecular weight is 349.28. It is also called 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-[(diethoxyphosphinyl)oxy]-. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.01 ; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.8; (5)ACD/BCF (pH 7.4): 19.8; (6)ACD/KOC (pH 5.5): 294.92; (7)ACD/KOC (pH 7.4): 294.92; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 91.95 Å2; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 86.11 cm3; (13)Molar Volume: 247.6 cm3; (14)Polarizability: 34.14 ×10-24cm3; (15)Surface Tension: 59 dyne/cm; (16)Density: 1.41 g/cm3; (17)Flash Point: 248.5 °C; (18)Enthalpy of Vaporization: 75.32 kJ/mol; (19)Boiling Point: 487.3 °C at 760 mmHg; (20)Vapour Pressure: 1.2E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)ON3C(=O)c2cccc1cccc(c12)C3=O
(2)InChI: InChI=1/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3
(3)InChIKey: QNSIFYWAPWSAIJ-UHFFFAOYAX
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 43300ug/kg (43.3mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 11, Pg. 49, 1967. |
| domestic animals - goat/sheep | LDLo | oral | 200mg/kg (200mg/kg) | Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973. | |
| mouse | LD50 | oral | 50mg/kg (50mg/kg) | Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 3, 1966. | |
| rat | LD50 | oral | 70mg/kg (70mg/kg) | World Review of Pest Control. Vol. 9, Pg. 119, 1970. | |
| rat | LD50 | skin | 140mg/kg (140mg/kg) | Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 45, 1978. |
