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| Name |
Ethylene bis(iodoacetate) |
EINECS | N/A |
| CAS No. | 5451-51-4 | Density | 2.31g/cm3 |
| PSA | 52.60000 | LogP | 0.94280 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H8 I2 O4 | Boiling Point | 374.3°C at 760 mmHg |
| Molecular Weight | 397.936 | Flash Point | 180.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of I−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, iodo-, 1,2-ethanediyl ester (9CI); Acetic acid, iodo-, ethylene ester(7CI,8CI); Ethylene glycol bis(iodoacetate); NSC 21820; NSC 59487 |
Ethylene bis(iodoacetate) Chemical Properties
IUPAC Name: 2-(2-iodoacetyl)oxyethyl 2-iodoacetate
Empirical Formula: C6H8I2O4
Molecular Weight: 397.9343g/mol
Index of Refraction: 1.605
Molar Refractivity: 59.33 cm3
Molar Volume: 172.1 cm3
Polarizability: 23.52×10-24cm3
Surface Tension: 54.7 dyne/cm
Density: 2.31 g/cm3
Flash Point: 180.2 °C
Enthalpy of Vaporization: 62.17 kJ/mol
Boiling Point: 374.3 °C at 760 mmHg
Vapour Pressure: 8.43E-06 mmHg at 25°C
Canonical SMILES: C(COC(=O)CI)OC(=O)CI
InChI: InChI=1S/C6H8I2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
InChIKey: KBCCFFGCRDUANG-UHFFFAOYSA-N
Structure of Ethylene bis(iodoacetate) (CAS NO.5451-51-4):
.bmp)
Ethylene bis(iodoacetate) Toxicity Data With Reference
| 1. | ipr-mus LD50:16 mg/kg | JNCIAM Journal of the National Cancer Institute. 31 (1963),297. | ||
| 2. | ivn-dog LD50:4940 µg/kg | JNCIAM Journal of the National Cancer Institute. 31 (1963),297. |
Ethylene bis(iodoacetate) Safety Profile
A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of I−.
Ethylene bis(iodoacetate) Specification
Ethylene bis(iodoacetate) , its cas register number is 5451-51-4. It also can be called AI3-30442 ; Acetic acid, iodo-, diester with ethylene glycol ; Acetic acid, iodo-, ethylene ester ; Ethylene bis(iodoacetate) ; NSC 21820 ; NSC 59487 ; S 10 .
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