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541-28-6

Basic Information
CAS No.: 541-28-6
Name: Isoamyl iodide
Article Data: 32
Molecular Structure:
Molecular Structure of 541-28-6 (Isoamyl iodide)
Formula: C5H11I
Molecular Weight: 198.047
Synonyms: 1-Iodo-3-methylbutane;3-Methyl-1-iodobutane;3-Methylbutyliodide;4-Iodo-2-methylbutane;Iso-Amyliodide;Isoamyl iodide;Isopentyl iodide;
EINECS: 208-773-8
Density: 1.52 g/cm3
Melting Point: -85.6°C (estimate)
Boiling Point: 146.6 °C at 760 mmHg
Flash Point: 44.6 °C
Solubility: Insoluble in water. Soluble in most common organic solvents.
Appearance: clear slightly yellow to pink liquid
Hazard Symbols: HarmfulXn
Risk Codes: 10-22
Safety: 16
Transport Information: UN 1993 3/PG 3
PSA: 0.00000
LogP: 2.46750
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Chemistry

IUPAC Name: 1-Iodo-3-methylbutane
CAS: 541-28-6
EINECS: 208-773-8
Product Categories: Miscellaneous ; Iodine compounds
Following is the Molecular Structure of Isoamyl iodide (541-28-6):

SMILES: ICCC(C)C
InChI: InChI=1/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKey: BUZZUHJODKQYTF-UHFFFAOYAN
Std.InChI: InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
Std.InChIKey: BUZZUHJODKQYTF-UHFFFAOYSA-N
Molecular Formula: C5H11I
Molecular Weight: 198.05
Boiling Point: 146.6℃ at 760mmHg
Flash Point: 44.6℃
Molar Volume: 130.2cm3
Density: 1.52g/cm3
Molar Refractivity: 38.14cm3
Surface Tension: 29dyne/cm
Polarizability: 15.12 10-24cm3
Enthalpy of Vaporization: 36.78kJ/mol
Vapour Pressure: 5.82mmHg at 25℃
Index of Refraction: 1.497
Refractive Index: n20/D 1.492(lit.)

Uses

 Isoamyl iodide (541-28-6) can be used for organic synthesis or used as solvents.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 503mg/kg (503mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 77, 1982.
rat LD50 intraperitoneal 1424mg/kg (1424mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969.
rat LD50 oral 1424mg/kg (1424mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 127, 1986.
It's toxic to aquatic organisms,may cause long-term adverse effects in the aquatic environment.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Xn Harmful, Xi Irritant. 
Risk Statements: 10-22
R10: Flammable.
R22: Harmful if swallowed.
Safety Statements: 16
S16: Keep away from sources of ignition.No smoking. 
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: EK4412000
F: 1-8-9
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III
HS Code: 29033080
Moderately toxic by ingestion and intraperitoneal routes.

Specification

 Isoamyl iodide (541-28-6),which also can be called for Isopentyl iodide ; Isoamyl iodide ; Iodo-isopentane ; 1-iodo-3-methylbutane ; 1-iodo-3-methyl-butan ; 1-Jod-3-methylbutan ; 3-Methyl-1-iodobutane ; 3-Methylbutyliodide . Isoamyl iodide (541-28-6) is clear slightly yellow to pink liquid and it's insoluble in water.It's vapors may cause dizziness or suffocation.It's may cause irritation or burns. Isoamyl iodide (541-28-6) decomposed into iodide poisonous vapor when heated and it decomposed into aggressive gas with water.Take care of this is a poisonous chemical.When heated to decomposition it emits toxic vapors of I.