-
Name
Carbonic acid 2-ethoxycarbonyl-1-methylethyl 4-iodobenzyl ester
- EINECS
- CAS No. 60075-74-3
- Density 1.525g/cm3
- Solubility
- Melting Point
- Formula C14H17IO5
- Boiling Point 409.8°C at 760 mmHg
- Molecular Weight 392.21
- Flash Point 201.7°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of I−. See also ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 61.83000
- LogP 3.28610
(2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester Chemical Properties
Molecular Structure of (2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester (CAS NO. 60075-74-3):
Systematic Name: Ethyl 3-[(4-iodophenyl)methoxycarbonyloxy]butanoate
Molecular Formula: C14H17IO5
Molecular Weight: 392.1863
SMILES: Ic1ccc(cc1)COC(=O)OC(CC(=O)OCC)C
InChI: InChI=1/C14H17IO5/c1-3-18-13(16)8-10(2)20-14(17)19-9-11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKey: URGSDWBERIYKIF-UHFFFAOYAM
Index of Refraction: 1.548
Molar Refractivity: 81.75 cm3
Molar Volume: 257 cm3
Surface Tension: 44.7 dyne/cm
Density: 1.525 g/cm3
Flash Point: 201.7 °C
Enthalpy of Vaporization: 66.21 kJ/mol
Boiling Point: 409.8 °C at 760 mmHg
Vapour Pressure: 6.31E-07 mmHg at 25 °C
Water Solubility of (2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester (CAS NO. 60075-74-3): 1.193 mg/L at 25 °C
(2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester Toxicity Data With Reference
| 1. | orl-rat LD50:1700 mg/kg | GISAAA Gigiena i Sanitariya. 41 (6)(1976),95. | ||
| 2. | orl-mus LD50:583 mg/kg | GISAAA Gigiena i Sanitariya. 41 (6)(1976),95. | ||
| 3. | ipr-mus LD50:3 g/kg | JMCMAR Journal of Medicinal Chemistry. 19 (1976),1362. |
(2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of I−. See also ESTERS.
(2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester Specification
(2-(Ethoxycarbonyl)-1-methyl)ethyl carbonic acid-p-iodobenzyl ester with cas registry number of 60075-74-3 is also known as Carbonic acid 2-ethoxycarbonyl-1-methylethyl 4-iodobenzyl ester .
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