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Name	n-Amyl-p-iodobenzyl carbonate	EINECS	N/A
CAS No.	60075-67-4	Density	1.47g/cm³
PSA	35.53000	LogP	4.13460
Solubility	N/A	Melting Point	N/A
Formula	C13H17 I O3	Boiling Point	356.9°C at 760 mmHg
Molecular Weight	348.181	Flash Point	169.7°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of I⁻.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Carbonic acid,(4-iodophenyl)methyl pentyl ester;4-Iodbenzyl-n-amylcarbonat;n-Amyl-p-iodobenzyl carbonate;CARBONIC ACID,p-IODOBENZYL PENTYL ESTER;

n-Amyl-p-iodobenzyl carbonate Chemical Properties

Molecule structure of n-Amyl-p-iodobenzyl carbonate (CAS NO.60075-67-4):

IUPAC Name: (4-Iodophenyl)methyl pentyl carbonate
Molecular Weight: 348.17675 g/mol
Molecular Formula: C₁₃H₁₇IO₃
Density: 1.47 g/cm³
Boiling Point: 356.9 °C at 760 mmHg
Flash Point: 169.7 °C
Index of Refraction: 1.549
Molar Refractivity: 75.39 cm³
Molar Volume: 236.7 cm³
Polarizability: 29.88×10^-24 cm³
Surface Tension: 42 dyne/cm
Enthalpy of Vaporization: 60.22 kJ/mol
Vapour Pressure: 2.82E-05 mmHg at 25 °C
XLogP3-AA: 4.5
H-Bond Acceptor: 3
Rotatable Bond Count: 8
Exact Mass: 348.022237
MonoIsotopic Mass: 348.022237
Topological Polar Surface Area: 35.5
Heavy Atom Count: 17
Complexity: 213
Canonical SMILES: CCCCCOC(=O)OCC1=CC=C(C=C1)I
InChI: InChI=1S/C13H17IO3/c1-2-3-4-9-16-13(15)17-10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKey of n-Amyl-p-iodobenzyl carbonate (CAS NO.60075-67-4): ZEBYPAFVOKEDKM-UHFFFAOYSA-N

n-Amyl-p-iodobenzyl carbonate Toxicity Data With Reference

ipr-mus LDLo:3 mL/kg

JMCMAR Journal of Medicinal Chemistry. 19 (1976),1362.

n-Amyl-p-iodobenzyl carbonate Safety Profile

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

n-Amyl-p-iodobenzyl carbonate Specification

n-Amyl-p-iodobenzyl carbonate (CAS NO.60075-67-4) is also named as BRN 1974661 ; Carbonic acid, (4-iodophenyl)methyl pentyl ester ; Carbonic acid, p-iodobenzyl pentyl ester .

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