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| CAS No.: | 78-46-6 |
|---|---|
| Name: | Dibutyl butanephosphonate |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H27 O3 P |
| Molecular Weight: | 250.318 |
| Synonyms: | Phosphonicacid, butyl-, dibutyl ester (6CI,8CI,9CI); Albrite DBBP; DBBP;Dibutoxybutylphosphine oxide; Dibutyl butanephosphonate; Dibutylbutylphosphonate; NSC 2666; TC 44; Tributylphosphonate |
| EINECS: | 201-119-2 |
| Density: | 0.946 |
| Boiling Point: | 283 ºC |
| Flash Point: | >110 ºC |
| Solubility: | 0.5g/L(25 oC) |
| Safety: | Poison by intraperitoneal and intravenous routes. Combustible when exposed to heat or flame. It can react vigorously with oxidizing materials. To fight fire, use foam, CO2, or dry chemical. When heated to decomposition it emits toxic fumes of POx. |
| PSA: | 45.34000 |
| LogP: | 4.61300 |
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Chemistry
Product Name: Dibutyl butylphosphonate (CAS NO.78-46-6)
Molecular Formula: C12H27O3P
Molecular Weight: 250.31g/mol
Mol File: 78-46-6.mol
Boiling point: 316.9 °C at 760 mmHg
Flash Point: 159.3 °C
Density: 0.946 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.432(lit.)
Surface Tension: 30.8 dyne/cm
Enthalpy of Vaporization: 53.61 kJ/mol
Vapour Pressure: 0.000739 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Dibutyl butylphosphonate (CAS NO.78-46-6):
IUPAC Name: 1-[butoxy(butyl)phosphoryl]oxybutane
Canonical SMILES: CCCCOP(=O)(CCCC)OCCCC
InChI: InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3
InChIKey: JPGXOMADPRULAC-UHFFFAOYSA-N
Product Categories: C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination; Horner-Wadsworth-Emmons ReagentsAnalytical/Chromatography; Ion Sensor Materials; Plasticizer for ISE
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03463, | |
| mouse | LDLo | intraperitoneal | 125mg/kg (125mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 789, 1955. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal and intravenous routes. Combustible when exposed to heat or flame. It can react vigorously with oxidizing materials. To fight fire, use foam, CO2, or dry chemical. When heated to decomposition it emits toxic fumes of POx.
Specification
Dibutyl butylphosphonate ,its CAS NO. is 78-46-6,the synonyms is BRN 1777999 ; Di-n-butyl n-butylphosphonate ; Dibutyl butanephosphonate ; EINECS 201-119-2 ; HSDB 2563 ; NSC 2666 ; Phosphonic acid, butyl-, dibutyl ester ; TC 44 ; Phosphonic acid, P-butyl-, dibutyl ester .