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167304

Sigma-Aldrich

1-Iodobutane

99%, contains copper as stabilizer

Synonym(s):

Butyl iodide

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About This Item

Linear Formula:
CH3(CH2)3I
CAS Number:
542-69-8
Molecular Weight:
184.02
Beilstein:
1420755
MDL number:
MFCD00001098
UNSPSC Code:
12352100
PubChem Substance ID:
24850205

vapor density

~5 (vs air)

Quality Level

100

Assay

99%

form

liquid

contains

copper as stabilizer

refractive index

n20/D 1.498 (lit.)

bp

130-131 °C (lit.)

mp

−103 °C (lit.)

solubility

alcohol: soluble
diethyl ether: soluble
water: insoluble

density

1.617 g/mL at 25 °C (lit.)

SMILES string

CCCCI

InChI

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

InChI key

KMGBZBJJOKUPIA-UHFFFAOYSA-N

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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.

1-Iodobutane is an alkyl halide and is used as an electrophile during SN2 nucleophilic reaction.

Application

1-Iodobutane was used in the synthesis of:
  • S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
  • 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
  • N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide by reaction with 1-methylpyrrolidine in ethyl acetate

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Statements

H226 - H331

Hazard Classifications

Acute Tox. 3 Inhalation - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

91.4 °F - closed cup

Flash Point(C)

33 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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New S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiols (5a-c, 6a-c) and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiols (7a-c, 8a-c, 9a-c) were synthesized by the alkylation of 3-(2-,3- and 4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thiones (3a-c) or 3-(2-,3- and 4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thiones (4a-c) with 1-iodobutane or 1-(1,3-benzodioxol-5-yl)-2-bromo-1-ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone and 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanone. Compounds 3a-c and 4a-c
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The thermal chemistry of a number of C4 hydrocarbons (1,3-butadiene, 1-bromo-3-butene, 1-bromo-2-butene, trans-2-butene, cis-2-butene, 1-butene, 2-iodobutane, 1-iodobutane, and butane) was investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy. A combination of
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