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| CAS No.: | 60075-83-4 |
|---|---|
| Name: | Isopropyl[3-(p-iodophenyl)butyl] =carbonate |
| Molecular Structure: | |
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| Formula: | C14H19IO3 |
| Molecular Weight: | 362.23 |
| Density: | 1.424g/cm3 |
| Boiling Point: | 367.7°Cat760mmHg |
| Flash Point: | 176.2°C |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of I−. |
| PSA: | 35.53000 |
| LogP: | 4.34640 |
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Chemistry
IUPAC Name: 3-(4-Iodophenyl)butyl propan-2-yl Carbonate
Canonical SMILES: CC(C)OC(=O)OCCC(C)C1=CC=C(C=C1)I
InChI: InChI=1S/C14H19IO3/c1-10(2)18-14(16)17-9-8-11(3)12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3
InChIKey: BWRLYESNWMEAGD-UHFFFAOYSA-N
Empirical Formula: C14H19IO3
Molecular Weight: 362.2033 g/mol
Density: 1.424 g/cm3
Flash Point: 176.2 °C
Index of Refraction: 1.541
Surface Tension: 39.7 dyne/cm
Enthalpy of Vaporization: 61.43 kJ/mol
Boiling Point: 367.7 °C at 760 mmHg
Vapour Pressure: 1.34E-05 mmHg at 25 °C
Following is the structure of Carbonic acid 3-(p-iodophenyl)-3-methylpropyl isopropyl ester (CAS NO.60075-83-4):
Toxicity Data With Reference
| 1. | ipr-mus LDLo:1500 µL/kg | JMCMAR Journal of Medicinal Chemistry. 19 (1976),1362. |
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition, Carbonic acid 3-(p-iodophenyl)-3-methylpropyl isopropyl ester (CAS NO.60075-83-4) emits toxic vapors of I−.
Specification
Carbonic acid 3-(p-iodophenyl)-3-methylpropyl isopropyl ester , its cas register number is 60075-83-4. It also can be called Carbonic acid, isopropyl ester, ester with 3-(p-iodophenyl)butanol .