Molecular Structure of Diisopropyl methylphosphonate (CAS NO. 1445-75-6):
EINECS: 215-896-0
Systematic Name: 2-(Isopropoxy-methyl-phosphoryl)oxypropane
Molecular Formula: C7H17O3P
Molecular Weight: 180.1818
SMILES: O=P(OC(C)C)(OC(C)C)C
InChI: InChI=1/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKey: WOAFDHWYKSOANX-UHFFFAOYAE
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.407
Molar Refractivity: 44.76 cm3
Molar Volume: 181.7 cm3
Surface Tension: 27.6 dyne/cm
Density: 0.991 g/cm3
Flash Point: 97.7 °C
Enthalpy of Vaporization: 43.24 kJ/mol
Boiling Point: 214.5 °C at 760 mmHg
Vapour Pressure: 0.227 mmHg at 25 °C
Water Solubility: 7250 mg/L at 25 °C
Refractive Index: 1.4100
BRN: 1761635
1. | orl-rat LD50:826 mg/kg | 40QBA3 Proceedings of the International Congress on Toxicology, Toxicology as a Predictive Science, 1st, Toronto, 1977 Plaa, G.L., andW.A. Duncan, eds.,New York, NY.: Academic Press, Inc.,1978,450. | ||
2. | orl-mus LD50:1041 mg/kg | 40QBA3 Proceedings of the International Congress on Toxicology, Toxicology as a Predictive Science, 1st, Toronto, 1977 Plaa, G.L., andW.A. Duncan, eds.,New York, NY.: Academic Press, Inc.,1978,450. | ||
3. | orl-dck LD50:1490 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A087-257 . | ||
4. | orl-ctl LD50:750 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A093-673 . | ||
5. | orl-mam LD50:503 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A087-257 . | ||
6. | orl-brd LD50:1000 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A087-257 . |
Reported in EPA TSCA Inventory.
Safety Information of Diisopropyl methylphosphonate (CAS NO. 1445-75-6):
Risk Statements: 22
R22:Harmful if swallowed
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves
RTECS: SZ9090000
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of POx. See also ESTERS and PHOSPHONIC ACID.
Diisopropyl methylphosphonate with cas registry number of 1445-75-6 is also known as 4-04-00-03501 (Beilstein Handbook Reference) ; DIMP ; Diisopropyl methanephosphonate ; HSDB 6864 ; Bis(1-methylethyl) methylphosphonate ; Methylphosphonic acid bis(1-methylethyl)ester ; Phosphonic acid, P-methyl-, bis(1-methylethyl) ester ; Phosphonic acid, methyl-, bis(1-methylethyl) ester ; Phosphonic acid, methyl-, diisopropyl ester .
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