ChemicalBook--->CAS DataBase List--->542-69-8

542-69-8

542-69-8 Structure

542-69-8 Structure
IdentificationMore
[Name]

1-Iodobutane
[CAS]

542-69-8
[Synonyms]

1-BUTYLIODIDE
1-IODOBUTANE
BUTYL IODIDE
IODOBUTANE(1-)
N-BUTYL IODIDE
n-Iodobutane
1-Butyljodid
1-iodo-butan
1-Jodbutan
Butane,1-iodo-
Iodobutane
n-Butyliodid
n-C4H9I
1-IODOBUTANE, STAB.
1-IodobutaneStablized98%
ButylIodide,99%
1-Iodobutane, stabilised with copper, 99%
1-Iodobutane,99%
1-Iodobutane, stabilized, 98%
1-Iodobutane (stabilized with Copper chip)
[EINECS(EC#)]

208-824-4
[Molecular Formula]

C4H9I
[MDL Number]

MFCD00001098
[Molecular Weight]

184.02
[MOL File]

542-69-8.mol
Chemical PropertiesBack Directory
[Appearance]

liquid
[Melting point ]

−103 °C(lit.)
[Boiling point ]

130-131 °C(lit.)
[density ]

1.617 g/mL at 25 °C(lit.)
[vapor density ]

~5 (vs air)
[vapor pressure ]

18.5 hPa (25 °C)
[refractive index ]

n20/D 1.498(lit.)
[Fp ]

92 °F
[storage temp. ]

Flammables area
[solubility ]

alcohol: soluble
[form ]

Liquid
[color ]

Clear colorless to pale yellow or light pink
[Stability:]

Stable. Highly flammable. Incompatible with strong oxidizing agents. Light sensitive.
[Water Solubility ]

Insoluble in water.
[Thermal Conductivity]

0.09 W/(m·K) at 25 ℃
[Sensitive ]

Light Sensitive
[Merck ]

14,1573
[BRN ]

1420755
[Dielectric constant]

4.5(130℃)
[InChI]

1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
[InChIKey]

KMGBZBJJOKUPIA-UHFFFAOYSA-N
[SMILES]

CCCCI
[CAS DataBase Reference]

542-69-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Butane, 1-iodo-(542-69-8)
[EPA Substance Registry System]

542-69-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
[Signal word ]

Danger
[Hazard statements ]

H226-H331
[Precautionary statements ]

P210-P233-P240-P241-P242-P304+P340+P311
[Hazard Codes ]

Xn
[Risk Statements ]

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 ]

S16:Keep away from sources of ignition-No smoking .
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
[Hazard Note ]

Harmful
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29033080
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Lithium acetate-->(Diacetoxyiodo)benzene-->Iodobenzene-->N-OCTANE-->Benzene-->2-Hexanone
[Preparation Products]

Butyldi-1-adamantylphosphine-->Tetrabutylammonium hydrogen sulfate-->optically active amino thioacetes-->1-BUTANESULFONIC ACID SODIUM SALT MONOHYDRATE-->Sodium 1-butanesulfonate-->Dibutyl sulfide-->2-(1,1-Dimethylethyl)benzonitrile-->BUTYL OLEATE-->1-Butylimidazole-->1-Propyl-1H-imidazole-->Butyl thiocyanate-->Tetrabutylphosphonium iodide-->N-BUTYLISOCYANIDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Iodobutane(542-69-8).msds
Hazard InformationBack Directory
[Chemical Properties]

liquid
[Uses]

1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
[Preparation]

1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 44, p. 2048, 1979 DOI: 10.1021/jo01326a042
Synthesis, p. 114, 1976
[General Description]

Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
[Purification Methods]

Dry the iodide with MgSO4 or P2O5, fractionally distil it through a column packed with glass helices, taking the middle fraction and storing over calcium or mercury in the dark. Alternatively purify it by prior passage through activated alumina or by shaking with conc H2SO4 then washing with Na2SO3 solution. It has also been treated carefully with sodium to remove free HI and H2O, before distilling through a column containing copper turnings at the top. Another purification procedure consisted of treatment with bromine, followed by extraction of free halogen with Na2S2O3, washing with H2O, drying and fractionally distilling. [Beilstein 1 IV 271.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Iodobutane(542-69-8)MS
1-Iodobutane(542-69-8)1HNMR
1-Iodobutane(542-69-8)13CNMR
1-Iodobutane(542-69-8)IR1
1-Iodobutane(542-69-8)IR2
1-Iodobutane(542-69-8)Raman
1-Iodobutane(542-69-8)ESR
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