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| CAS No.: | 587-15-5 |
|---|---|
| Name: | Fluoridophosphoric acid dicyclohexyl ester |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H22FO3P |
| Molecular Weight: | 264.277 |
| Synonyms: | fluorophosphoric acid dicyclohexyl ester;Phosphorofluoridic acid,dicyclohexyl ester;Cyclohexyl phsophorofluoridate;Dicyclohexyl fluorophosphonate;Phosphorsaeure-dicyclohexylester-fluorid;Fluorophosphorsaeure-dicyclohexylester;dicyclohexyl phosphorofluoridate;Dicyclohexyl-fluorphosphat; |
| Density: | 1.12g/cm3 |
| Boiling Point: | 333.1°C at 760 mmHg |
| Flash Point: | 155.3°C |
| Safety: | Poison by inhalation. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and POx. |
| PSA: | 45.34000 |
| LogP: | 4.76260 |
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Chemistry
IUPAC Name: [cyclohexyloxy(fluoro)phosphoryl]oxycyclohexane
Empirical Formula: C12H22FO3P
Molecular Weight: 264.2734g/mol
Structure of Dicyclohexyl fluorophosphonate (CAS NO.587-15-5):
Index of Refraction: 1.457
Molar Refractivity: 63.82 cm3
Molar Volume: 234 cm3
Polarizability: 25.3×10-24cm3
Surface Tension: 34.8 dyne/cm
Density: 1.12 g/cm3
Flash Point: 155.3 °C
Enthalpy of Vaporization: 55.31 kJ/mol
Boiling Point: 333.1 °C at 760 mmHg
Vapour Pressure: 0.00027 mmHg at 25°C
Canonical SMILES: C1CCC(CC1)OP(=O)(OC2CCCCC2)F
InChI: InChI=1S/C12H22FO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey: NLPYJEIDHPZCCR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ihl-rat LD50:1200 mg/m3/10M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 2. | ihl-mus LD50:800 mg/m3/10M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 3. | ihl-dog LD50:1 g/m3/10M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 4. | ihl-rbt LD50:1200 mg/m3/10M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 5. | ihl-gpg LD50:6 g/m3/10M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . |
Safety Profile
Poison by inhalation. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and POx.
Specification
Dicyclohexyl fluorophosphonate , its cas register number is 587-15-5. It also can be called 4-06-00-00058 (Beilstein Handbook Reference) ; BRN 3306805 ; Cyclohexyl phsophorofluoridate . When Dicyclohexyl fluorophosphonate (CAS NO.587-15-5) is heated to decomposition, it emits very toxic fumes of F− and POx.