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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/REAXYS Number:
1420755
MDL number:
MFCD00001098
UNSPSC Code:
12352100
PubChem Substance ID:
24850205
NACRES:
NA.22

vapor density

~5 (vs air)

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

signalword

Danger

hcodes

H226,H331

Hazard Classifications

Acute Tox. 3 Inhalation - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

91.4 °F - closed cup

flash_point_c

33 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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