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Basic Information
| CAS No.: | 513-38-2 |
|---|---|
| Name: | Isobutyl iodide |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| 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: |
 F, Xi, Xn
|
| 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 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With N-iodo-succinimide In chlorobenzene for 2h; Irradiation; | A 94% B 5% C 1% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With quinoline; iodine In nitrobenzene | 74% |
Conditions
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; diethyl ether at -40℃; for 4.5h; Product distribution; | |
| In tetrahydrofuran at -40℃; for 4.5h; |
...Expand
- 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
| Conditions | Yield |
|---|---|
| With hydrogen iodide In solid matrix at -196.1℃; Product distribution; Irradiation; γ-radiolysis 60Co; or without HI; |
...Expand
- 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
| Conditions | Yield |
|---|---|
| With hydrogen iodide In solid matrix at -196.1℃; Irradiation; γ-radiolysis (60Co); Further byproducts given; |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| In octane Rate constant; Kinetics; Thermodynamic data; E (activ.); ΔH(excit.); ΔS(excit.); ΔG(excit.); |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With pyridine; tributyltin iodide at 125℃; Thermodynamic data; Equilibrium constant; Δ G; |
Downstream Products
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Isobutyl iodide
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
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
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.