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Cas Database |
| Name |
1-Iodobutane |
EINECS | 208-824-4 |
| CAS No. | 542-69-8 | Density | 1.622 g/cm3 |
| PSA | 0.00000 | LogP | 2.22150 |
| Solubility | Insoluble in water. | Melting Point |
-103 °C(lit.) |
| Formula | C4H9I | Boiling Point | 130.9 °C at 760 mmHg |
| Molecular Weight | 184.02 | Flash Point | 33.3 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | liquid |
| Safety | 16-36-36/37/39-26 | Risk Codes | 10-20-36/37/38-20/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Butyl iodide;1-Iodobutane Butyl iodide;1-Butyliodide;Butane,1-iodo-;1-Jodbutan [Czech]; |
Article Data | 120 |
1-Iodobutane Synthetic route
| Conditions | Yield |
|---|---|
| With potassium iodide In acetonitrile at 20℃; for 0.25h; | 95% |
| With iodine; triphenylphosphine at 20℃; for 0.133333h; Ionic liquid; | 91% |
| With hydrogen iodide at 120℃; for 4h; | 80% |
| Conditions | Yield |
|---|---|
| With N-iodo-succinimide In chlorobenzene for 2h; Irradiation; | A 94% B 1% C n/a |
| With N-iodo-succinimide In chlorobenzene for 2h; Product distribution; Irradiation; var. irradiat. times, temps. and light cond.; | A 94% B 1% C n/a |
| Conditions | Yield |
|---|---|
| With hexaethylbisphosphonium bistriiodide Heating; | 88% |
| With phosphoric acid; potassium iodide |
| Conditions | Yield |
|---|---|
| In diethyl ether for 2h; Ambient temperature; | A n/a B 85% |
| Conditions | Yield |
|---|---|
| With I*2H2O In toluene at 150℃; Rate constant; | 80% |
| With I*2H2O In toluene at 150℃; | 80% |
| With sodium iodide In acetone Substitution; | 64% |
- 542-69-8
1-iodo-butane
| Conditions | Yield |
|---|---|
| With potassium iodide In dichloromethane; water at 20℃; for 0.15h; | 78% |
| With potassium iodide In dichloromethane; water at 20℃; for 0.15h; Product distribution; further diphenylalkylsulfonium salts, further K salts and other nucleophiles; | 78% |
| Conditions | Yield |
|---|---|
| With tetrabutylammonium tetrafluoroborate In acetone at 320℃; Product distribution; in a gas chromatograph; other temperature; various concentration of reagent; | A 77% B n/a |
| Conditions | Yield |
|---|---|
| With 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; sodium iodide In acetone Reflux; | 70% |
- 111-34-2
-butyl vinyl ether
- 507-02-8
acetyl iodide
A
- 108-05-4
vinyl acetate
B
- 542-69-8
1-iodo-butane
C
- 593-66-8
vinyliodide
D
- 123-86-4
acetic acid butyl ester
| Conditions | Yield |
|---|---|
| In dichloromethane at 10℃; | A 11.8% B 12.8% C 35.8% D 39.8% |
| Conditions | Yield |
|---|---|
| With iron pentacarbonyl; iodoform In N,N-dimethyl-formamide 1.) 70-90 deg C, 1 h, 2.) 80-90, 1 h; | 37% |
| With ethylene glycol; potassium iodide | |
| With iodine; iron pentacarbonyl at 85 - 90℃; for 1.5h; further reagent; Yield given; |
1-Iodobutane Specification
1.Introduction of 1-Iodobutane
1-Iodobutane, with its CAS register No 542-69-8, is a kind of colorless or pale orange clear liquid. It has synonyms of Butyl iodide;1-Iodobutane Butyl iodide;1-Butyliodide;Butane,1-iodo- and 1-Jodbutan [Czech]. 1-Iodobutane should be stored in shady and cool warehouse and mainly used as solvent.
2.Properties of 1-Iodobutane
(1) Freely Rotating Bonds: 2 (2) Polar Surface Area: 0 Å2 (3) Index of Refraction: 1.503 (4) Molar Refractivity: 33.54 cm3
(5) Molar Volume: 113.3 cm3 (6) Polarizability: 13.3 ×10-24cm3 (7) Surface Tension: 29.9 dyne/cm (8) Density: 1.622 g/cm3
(9) Flash Point: 33.3 °C (10) Enthalpy of Vaporization: 34.66 kJ/mol (11) Boiling Point: 130.9 °C at 760 mmHg
(12) Vapour Pressure: 11.7 mmHg at 25°C
3.Structure descriptors of 1-Iodobutane
SMILES:ICCCC
Std. InChI:InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
Std. InChIKey:KMGBZBJJOKUPIA-UHFFFAOYSA-N
4.Safety information of 1-Iodobutane
Hazard Codes: 
Xn
Risk Statements: 10-20-36/37/38-20/22
R10: Flammable.
R20: Harmful by inhalation.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/22: Harmful by inhalation and if swallowed.
Safety Statements: 16-36-36/37/39-26
S16: Keep away from sources of ignition.
S36: Wear suitable protective clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: EK4400000
F: 8
HazardClass: 3
PackingGroup: III
HS Code: 29033080
5.Toxicity date of 1-Iodobutane
| 1. | mouseLD50:101 mg/kg | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. | ||
| 2. | ratLD50:6100mg/m3/4H | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969. | ||
| 3. | ratLD50:692mg/kg | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. |
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