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About This Item
Linear Formula:
CH3(CH2)3I
CAS Number:
Molecular Weight:
184.02
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1420755
Assay:
99%
Form:
liquid
vapor density
~5 (vs air)
Quality Level
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.)
functional group
alkyl halide, iodo
SMILES string
CCCCI
InChI
1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
InChI key
KMGBZBJJOKUPIA-UHFFFAOYSA-N
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.
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
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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NMR Kinetics of the SN2 Reaction between BuBr and I--: An Introductory Organic Chemistry Laboratory Exercise
Mobley, T Andrew
Journal of Chemical Education, 92, 534-537 (2015)
L Labanauskas et al.
Farmaco (Societa chimica italiana : 1989), 59(4), 255-259 (2004-04-15)
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
Y Zea-Ponce et al.
Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 45(1), 63-68 (1994-01-01)
The benzodiazepine receptor tracer [123I]iomazenil (Ro 16-0154, IMZ) can be prepared in close to theoretical specific activity by the reaction of its tributyltin precursor (IMZ-SnBu3) with [123I]NaI in the presence of Iodogen. However, the labeling reaction is associated with variably
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 167304-100G | 04061838749505 |
| 167304-500G | 04061838749512 |
| 167304-5G | 04061838749529 |

