ChemicalBook--->CAS DataBase List--->513-38-2

513-38-2

513-38-2 Structure

513-38-2 Structure
IdentificationMore
[Name]

Isobutyl iodide
[CAS]

513-38-2
[Synonyms]

1-IODO-2-METHYLPROPANE
1-Iodo-iso-butane
1-IODOMETHYLPROPANE
ISOBUTYL IODIDE
1-iodo-2-methyl-propan
1-Jod-2-methylpropan
2-methylpropyliodide
iodomethylpropanes
Isobutyljodid
iso-C4H9I
Primary isobutyl iodide
primaryisobutyliodide
Propane,1-iodo-2-methyl-
1-IODO-2-METHYLPROPANE STAB.
1-Iodo-2-methylpropane, stabilized, 97%
ISO-BUTANEIODIDE
1-Iodo-2-methylpropane, 98%, stab. with copper
1-Iodo-2-methylpropane (stabilized with Copper chip)
ISOBUTYL IODIDE pure
Isobutyl iodine
[EINECS(EC#)]

208-160-5
[Molecular Formula]

C4H9I
[MDL Number]

MFCD00001084
[Molecular Weight]

184.02
[MOL File]

513-38-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light orange liquid
[Melting point ]

-93 °C
[Boiling point ]

120-121 °C(lit.)
[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.)
[Fp ]

55 °F
[storage temp. ]

Flammables area
[solubility ]

alcohol: miscible(lit.)
[form ]

Liquid
[color ]

Clear colorless to light orange
[Water Solubility ]

insoluble
[Specific Heat Capacity]

Cp(liquid):162.3J/(g·K),at 25℃
[Sensitive ]

Light Sensitive
[Merck ]

14,5144
[BRN ]

1730927
[Dielectric constant]

5.8(20℃)
[InChI]

1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
[InChIKey]

BTUGGGLMQBJCBN-UHFFFAOYSA-N
[SMILES]

CC(C)CI
[CAS DataBase Reference]

513-38-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Propane, 1-iodo-2-methyl-(513-38-2)
[EPA Substance Registry System]

513-38-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H225-H331
[Precautionary statements ]

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

F,Xi,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20:Harmful by inhalation.
[Safety Statements ]

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
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29033080
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-propanol
[Preparation Products]

Isobutyl carbonate-->Ethyl 2-isobutylacetoacetate-->5-Methylhexanoic acid-->2-methyl-1-nitropropane-->Isobutyl nitrite-->1-(2-methylpropyl)-4-nitro-1H-pyrazole-->Methyl 6-methyl-3-oxoheptanoate-->2-BroMo-6-(2-Methylpropoxy)naphthalene-->N-isobutyl-1H-indol-6-amine-->1,3-Dibromo-5-isobutoxybenzene-->2-(2-Methylpropyloxy)phenol
Hazard InformationBack Directory
[General Description]

A colorless liquid mixture of isomers that discolors in air. Denser than water. Flash point 30°F. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.
[Reactivity Profile]

IODOMETHYLPROPANE(513-38-2)S are incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
[Air & Water Reactions]

Highly flammable. Slightly soluble in water.
[Health Hazard]

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Chemical Properties]

clear colorless to light orange liquid
[Uses]

Isobutyl iodide is a useful synthetic building block, such as its use in the palladium-catalyzed alkylation of arylpyridines with alkyl iodides.
[Purification Methods]

Shake the iodide with conc H2SO4, and wash it with water, aqueous Na2SO3, and water, dry with MgSO4 and distil it. Alternatively, pass through a column of activated alumina before distillation. Store it under nitrogen with mercury in a brown bottle or in the dark. [Beilstein 1 IV 299.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Iodo-2-methylpropane(513-38-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutyl iodide(513-38-2)MS
Isobutyl iodide(513-38-2)1HNMR
Isobutyl iodide(513-38-2)13CNMR
Isobutyl iodide(513-38-2)IR1
Isobutyl iodide(513-38-2)IR2
Isobutyl iodide(513-38-2)Raman
Isobutyl iodide(513-38-2)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Iodo-2-methylpropane, stabilized, 97%(513-38-2)
[Alfa Aesar]

1-Iodo-2-methylpropane, 98%, stab. with copper(513-38-2)
[Sigma Aldrich]

513-38-2(sigmaaldrich)
[TCI AMERICA]

1-Iodo-2-methylpropane  (stabilized with Copper chip),>97.0%(GC)(513-38-2)
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