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| Name |
6-Trifluoromethylcyclophosphamide |
EINECS | N/A |
| CAS No. | 57165-71-6 | Density | 1.44g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H14Cl2F3N2O2P | Boiling Point | 336.3°C at 760 mmHg |
| Molecular Weight | 329.11 | Flash Point | 157.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, F−, NOx, and POx. See also FLUORIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
6-Trifluoromethylcyclophosphamide Chemical Properties
IUPAC Name: N,N-bis(2-Chloroethyl)-1-oxo-3-(trifluoromethyl)-2-oxa-6-aza-1λ5-phosphacyclohexan-1-amine
Synonyms of 6-Trifluoromethylcyclophosphamide (CAS NO.57165-71-6): 2-(Bis(2-Chloroethyl)amino)-6-trifluoromethyltetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide ; 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-6-trifluoromethyl-, 2-oxide
CAS NO: 57165-71-6
Molecular Formula: C8H14Cl2F3N2O2P
Molecular Weight: 329.0839
Molecular Structure: .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 42.59 Å2
Index of Refraction: 1.464
Molar Refractivity: 63.06 cm3
Molar Volume: 228.4 cm3
Surface Tension: 37.8 dyne/cm
Density: 1.44 g/cm3
Flash Point: 157.2 °C
Enthalpy of Vaporization: 57.94 kJ/mol
Boiling Point: 336.3 °C at 760 mmHg
Vapour Pressure: 0.000113 mmHg at 25°C
InChI: InChI=1/C8H14Cl2F3N2O2P/c9-2-5-15(6-3-10)18(16)14-4-1-7(17-18)8(11,12)13/h7H,1-6H2,(H,14,16)
InChIKey: KJCIGHRTQNBIGS-UHFFFAOYAX
Std. InChI: InChI=1S/C8H14Cl2F3N2O2P/c9-2-5-15(6-3-10)18(16)14-4-1-7(17-18)8(11,12)13/h7H,1-6H2,(H,14,16)
Std. InChIKey: KJCIGHRTQNBIGS-UHFFFAOYSA-N
6-Trifluoromethylcyclophosphamide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 1106, 1975. | |
| rat | LD50 | intraperitoneal | 224mg/kg (224mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 1106, 1975. |
6-Trifluoromethylcyclophosphamide Safety Profile
Poison by intraperitoneal route. When 6-Trifluoromethylcyclophosphamide (CAS NO.57165-71-6) is heated to decomposition, it emits very toxic fumes of Cl−, F−, NOx, and POx. See also FLUORIDES.
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