1-Iodobutane

CAS No. 542-69-8

Formula: C4H9I
Basic Info

Butyl iodide (1-iodobutane) is an organic compound which is an iodo derivative of butane. It is used as an alkylating agent.

Formula
C4H9I
Molecular Weight
184.019
Exact Mass
183.975
LogP
2.2215
PSA
0
Synonyms

n-butyl iodide

1-Jod-butan-2-ol

Butane, 1-iodo-

1-iodo-butane

1-iodo-butan-2-ol

1-iodo-2-butanol

n-iodobutane

1-butyl iodide

butyl iodide

2-Butanol,1-iodo

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Properties
Appearance & Physical State
colorless liquid
Density
1.615
Boiling Point
130ºC
Melting Point
-103ºC
Flash Point
33ºC
Refractive Index
1.5001
Stability
Stable. Highly flammable. Incompatible with strong oxidizing agents. Light sensitive.
Storage Condition
Flammables area
Vapor Density
~5 (vs air)
Safety Info
RTECS
EK4400000
Safety Statements
S16-S36
WGK Germany
3
Risk Statements
R10; R20
HS Code
29033080
RIDADR
UN 1993
Hazard Class
3
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass
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ESR Spectrum ESR : REACTION WITH NA AT 77K
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
810.
Temperature Control
120.
Method
isothermal
Comments
He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m
Reference
Kowalski, W.J.Free radical crosslinking of the gas chromatographic stationary phase containing europium chelatesChromatographia1992, 34, 5-8, 266-268.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
844.9
Temperature Control
150.
Method
isothermal
Comments
N2, Chromosorb G HP; Column length: 2. m
Reference
Maeck, M.Touabet, A.Badjah Hadj Ahmed, A.Y.Meklati, B.Y.A numerical interpolation of Kováts indices without dead time correctionChromatographia1989, 27, 5/6, 205-208.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
821.
Temperature Control
120.
Method
isothermal
Comments
N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m
Reference
Fernández-Sánchez, E.Fernández-Torres, A.García-Domínguez, J.A.García-Muñoz, J.Menéndez, V.Molera, M.J.Santiuste, J.M.Pertierra-Rimada, E.Mixed stationary phases in gas-liquid chromatography. Partition coefficients and retention indices in OV-101-OV-25, OV-101-Carbowax 20M and OV-225-SP-2340 mixturesJ. Chromatogr.1987, 410, 13-29.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
Squalane
Retention index
806.
Temperature Control
80.
Method
isothermal
Comments
N2; Column length: 3.5 m
Reference
Kersten, B.R.Poole, C.F.Influence of concurrent retention mechanisms on the determination of stationary phase selectivity in gas chromatographyJ. Chromatogr.1987, 399, 1-31.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
814.
Temperature Control
100.
Method
isothermal
Comments
Gaschrom Q; Column length: 2. m
Reference
Winskowski, J.Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen DetektorenChromatographia1983, 17, 3, 160-165.
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LC50 - Lethal concentration, 50 percent kill
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
6100 mg/m3/4H
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Toxicology of Drugs and Chemicals, Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,756,1969
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
692 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure, Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,30,1982
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - mouse
Dose/Duration
101 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure, Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,30,1982

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