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513-38-2

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Basic Information
CAS No.: 513-38-2
Name: Isobutyl iodide
Molecular Structure:
Molecular Structure of 513-38-2 (Isobutyl iodide)
Formula: C4H9I
Molecular Weight: 184.02
Synonyms: 3-Iodo-2-methylpropane;NSC 8421;2-Methylpropyl iodide;1-Iodo-2-methylpropane;1-Iodoisobutane;2-Methyl-1-iodopropane;2-Methylpropan-1-yl iodide;
EINECS: 208-160-5
Density: 1.617 g/cm3
Melting Point: -93 °C
Boiling Point: 120 °C at 760 mmHg
Flash Point: 12.8 °C
Solubility: insoluble in water
Appearance: clear colorless to light orange liquid
Hazard Symbols: FlammableF,IrritantXi,HarmfulXn
Risk Codes: 11-36/37/38-20
Safety: 16-26-36-9-33
Transport Information: UN 2391 3/PG 2
PSA: 0.00000
LogP: 2.07740
Synthetic route
4873-56-7

isobutyl p-toluenesulfonate

513-38-2

Isobutyl iodide

Conditions
ConditionsYield
With sodium iodide In neat (no solvent) at 120℃; for 0.5h; Microwave irradiation;99%
123-51-3

i-Amyl alcohol

A

13423-15-9

3-methyltetrahydrofuran

B

513-38-2

Isobutyl iodide

C

590-86-3

isovaleraldehyde

Conditions
ConditionsYield
With N-iodo-succinimide In chlorobenzene for 2h; Irradiation;A 94%
B 5%
C 1%
78-83-1

2-methyl-propan-1-ol

603-35-0

triphenylphosphine

513-38-2

Isobutyl iodide

Conditions
ConditionsYield
With quinoline; iodine In nitrobenzene74%
78-83-1

2-methyl-propan-1-ol

513-38-2

Isobutyl iodide

Conditions
ConditionsYield
With phosphoric acid; potassium iodide
With phosphorus; iodine Einw. das Reaktionsprodukt von gelbem Phosphor;
With iodophosphorus
556-56-9

allyl iodid

593-71-5

Chloroiodomethane

1068-55-9

isopropylmagnesium chloride

A

75-30-9

2-iodo-propane

B

513-38-2

Isobutyl iodide

C

7766-51-0

4-iodobut-1-ene

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether at -40℃; for 4.5h; Product distribution;
In tetrahydrofuran at -40℃; for 4.5h;
79-29-8

2,3-dimethylbutane

A

513-38-2

Isobutyl iodide

B

594-59-2

iodo-2 dimethyl-2,3 butane

C

52670-34-5

tetramethyl-2,3,6,7 octane

D

2300-25-6, 2300-27-8, 71486-02-7, 31295-00-8

rac-2,3-dimethyl-1-iodobutane

E

52670-35-6

pentamethyl-2,3,3,5,6 heptane

F

558-17-8

tert-Butyl iodide

Conditions
ConditionsYield
With hydrogen iodide In solid matrix at -196.1℃; Product distribution; Irradiation; γ-radiolysis 60Co; or without HI;
79-29-8

2,3-dimethylbutane

A

513-38-2

Isobutyl iodide

B

594-59-2

iodo-2 dimethyl-2,3 butane

C

2300-25-6, 2300-27-8, 71486-02-7, 31295-00-8

rac-2,3-dimethyl-1-iodobutane

D

558-17-8

tert-Butyl iodide

Conditions
ConditionsYield
With hydrogen iodide In solid matrix at -196.1℃; Irradiation; γ-radiolysis (60Co); Further byproducts given;
78-77-3

Isobutyl bromide

513-38-2

Isobutyl iodide

Conditions
ConditionsYield
With pyridine; tributyltin iodide at 125℃; Thermodynamic data; Equilibrium constant; Δ G;
With sodium iodide In acetone Reflux; Inert atmosphere;
754-34-7

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

24681-02-5

Diisobutoxy-ethylphosphin

A

513-38-2

Isobutyl iodide

B

77529-59-0

isobutyl ethyl(heptafluoropropyl)phosphinate

Conditions
ConditionsYield
In octane Rate constant; Kinetics; Thermodynamic data; E (activ.); ΔH(excit.); ΔS(excit.); ΔG(excit.);
513-36-0

isobutyryl chloride

513-38-2

Isobutyl iodide

Conditions
ConditionsYield
With pyridine; tributyltin iodide at 125℃; Thermodynamic data; Equilibrium constant; Δ G;
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Chemistry

Product Name: Isobutyl iodide
The MF of Isobutyl iodide (513-38-2) is C4H9I.
                           
The MW of Isobutyl iodide (513-38-2) is 184.02.
Synonyms: ISOBUTYL IODIDE ; 1-IODOMETHYLPROPANE ; 1-IODO-2-METHYLPROPANE ; 1-Iodo-iso-butane ; iodomethylpropanes ; 1-iodo-2-methyl-propan ; 1-Jod-2-methylpropan ; 2-methylpropyliodide
Product Categories: Iodine Compounds
EINECS: 208-160-5
Flash Point: 12.8°C   
Boiling Point: 120°C   
Melting Point: -93°C
density: 1.599 g/mL at 25°C(lit.)
vapor density: 6 (vs air)
vapor pressure: 20 mm Hg (20°C)
refractive index: n20/D 1.496(lit.)
storage temp: Flammables area
Water Solubility: insoluble
Sensitive: Light Sensitive
Appearance: Clear, pink liquid.
Merck: 14,5144
BRN: 1730927

Uses

   Isobutyl iodide (513-38-2) is used as solvents, analytical reagents, organic synthesis of raw materials.

Toxicity Data With Reference

1.   

ihl-rat LC50:6700 mg/m3/4H

   34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,756.
2.   

ipr-rat LD50:1241 mg/kg

   34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,756.
3.   

ipr-mus LD50:594 mg/kg

   34ZIAG    Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,756.

Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. A flammable liquid. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits toxic fumes of I. See also IODIDES.
Safety information of Isobutyl iodide (513-38-2):
Hazard Codes  F,Xi,Xn
Risk Statements  11-36/37/38-20
R11: Highly Flammable
R36/37/38: Irritating to eyes, respiratory system and skin
R20: Harmful by inhalation
Safety Statements  16-26-36-9-33
S16: Keep away from sources of ignition - No smoking
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
S9: Keep container in a well-ventilated place
S33: Take precautionary measures against static discharges 
RIDADR  UN 2391 3/PG 2
WGK Germany  3
RTECS  TZ4250000
F  8-10-23
HazardClass  3
PackingGroup  II
HS Code  29033080

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.Wash thoroughly after handling. Use with adequate ventilation. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.