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Cas Database |
| Name |
Dimethyl fluorophosphate |
EINECS | N/A |
| CAS No. | 5954-50-7 | Density | 1.232g/cm3 |
| PSA | 45.34000 | LogP | 1.35680 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C2H6FO3P | Boiling Point | 99.3°C at 760 mmHg |
| Molecular Weight | 128.04 | Flash Point | 13.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by inhalation, skin contact, and intravenous routes. When heated to decomposition it emits toxic fumes of F− and POx. See also ESTERS, FLUORIDES, and PHOSPHATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
fluorophosphoric acid dimethyl ester;Fluorophosphorsaeure-dimethylester;dimethyl fluorophosphate;Phosphorsaeure-dimethylester-fluorid;Fluorfumarsaeuredimethylester;Dimethyl-fluorophosphat;monofluorophosphoric acid dimethyl ester;dimethyl fluorofumarate;fluorofumaric acid dimethyl ester;Dimethyl-2-fluorfumarat;Methylfluor-fumarat;phosphorofluoridic acid dimethyl ester; |
Article Data | 2 |
Dimethyl fluorophosphate Chemical Properties
Molecule structure of Dimethyl fluorophosphate (CAS NO.5954-50-7) :
IUPAC Name: [fluoro(methoxy)phosphoryl]oxymethane
Molecular Weight: 128.039404 g/mol
Molecular Formula: C2H6FO3P
Density: 1.232 g/cm3
Boiling Point: 99.3 °C at 760 mmHg
Flash Point: 13.8 °C
Index of Refraction: 1.341
Molar Refractivity: 21.84 cm3
Molar Volume: 103.8 cm3
Polarizability: 8.65*10-24 cm3
Surface Tension: 25.1 dyne/cm
Enthalpy of Vaporization: 32.46 kJ/mol
Vapour Pressure: 44.3 mmHg at 25 °C
XLogP3: -0.1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 128.003859
MonoIsotopic Mass: 128.003859
Topological Polar Surface Area: 35.5
Heavy Atom Count: 7
Complexity: 84.9
Canonical SMILES: COP(=O)(OC)F
InChI: InChI=1S/C2H6FO3P/c1-5-7(3,4)6-2/h1-2H3
InChIKey of Dimethyl fluorophosphate (CAS NO.5954-50-7) : XCTATYNREGBPBO-UHFFFAOYSA-N
Dimethyl fluorophosphate Toxicity Data With Reference
| 1. | ihl-rat LC50:1800 mg/m3/1M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 2. | ihl-mus LC50:290 mg/m3/10M | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),307. | ||
| 3. | skn-mus LD50:36 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 4. | ipr-mus LD50:3 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 5. | ivn-mus LD50:450 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 6. | ihl-dog LC50:6 g/m3/1M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 7. | ivn-dog LD50:1 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 . | ||
| 8. | ihl-cat LC50:6 g/m3/1M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Informatio |
Dimethyl fluorophosphate Safety Profile
Poison by inhalation, skin contact, and intravenous routes. When heated to decomposition it emits toxic fumes of F− and POx. See also ESTERS, FLUORIDES, and PHOSPHATES.
Dimethyl fluorophosphate Specification
Dimethyl fluorophosphate (CAS NO.5954-50-7) is also called 4-01-00-01260 (Beilstein Handbook Reference) ; BRN 1702234 ; Dimethylfluorfosfat ; Dimethylfluorfosfat [Czech] ; Fluophosphoric acid, dimethyl ester ; PF-1 ; T-1035 ; TL 311 ;
Phosphorofluoridic acid, dimethyl ester .
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