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5451-51-4

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Basic Information
CAS No.: 5451-51-4
Name: ETHYLENEBIS(IODOACETATE)
Molecular Structure:
Molecular Structure of 5451-51-4 (ETHYLENEBIS(IODOACETATE))
Formula: C6H8 I2 O4
Molecular Weight: 397.936
Synonyms: Aceticacid, iodo-, 1,2-ethanediyl ester (9CI); Acetic acid, iodo-, ethylene ester(7CI,8CI); Ethylene glycol bis(iodoacetate); NSC 21820; NSC 59487
Density: 2.31g/cm3
Boiling Point: 374.3°C at 760 mmHg
Flash Point: 180.2°C
Safety: A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of I−.
PSA: 52.60000
LogP: 0.94280
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    Acetic acid, 2-iodo-,1,1'-(1,2-ethanediyl) ester cas 5451-51-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

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):

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.

Safety Profile

A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of I−.

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 .