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Merck
CN

08436

Butyronitrile

analytical standard

Synonym(s):

Propyl cyanide

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About This Item

Linear Formula:
CH3CH2CH2CN
CAS Number:
109-74-0
Molecular Weight:
69.11
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748584
EC Number:
203-700-6
Beilstein/REAXYS Number:
1361452
MDL number:
MFCD00001968

Key Documents

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InChI key

KVNRLNFWIYMESJ-UHFFFAOYSA-N

InChI

1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

SMILES string

CCCC#N

grade

analytical standard

vapor density

2.4 (vs air)

vapor pressure

23 mmHg ( 25 °C)

assay

≥99.5% (GC)

autoignition temp.

910 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

Quality Level

100

bp

115-117 °C (lit.)

mp

−112 °C (lit.)

density

0.794 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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Application

BTN may be used as a reference standard for the determination of BTN in:
  • Whole blood samples obtained from rat and mice by headspace solid-phase microextraction (HS-SPME) followed by analysis using gas chromatography (GC) equipped with nitrogen phosphorus detector (NPD).
  • Buckwheat samples by various isolation techniques such as SPME, dynamic headspace (DHS) with cryotrapping or sorbent trapping, headspace sorptive extraction (HSSE), solvent extraction (SE) and simultaneous distillation−extraction (SDE) followed by GC with mass spectrometric (MS) analysis.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F

flash_point_c

22 °C

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBW0751

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Determination of cyanide and volatile alkylnitriles in whole blood by headspace solid-phase microextraction and gas chromatography with nitrogen phosphorus detection
Boadas-Vaello P, et al.
Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences, 870(1), 17-21 (2008)
Titan's organic aerosols: Molecular composition and structure of laboratory analogues inferred from pyrolysis gas chromatography mass spectrometry analysis
Morisson M, et al.
Icarus, 277, 442-454 (2016)
Comparison of isolation methods for the determination of buckwheat volatile compounds
Prosen H, et al.
Food Chemistry, 121(1), 298-306 (2010)
M S Nawaz et al.
Applied and environmental microbiology, 58(1), 27-31 (1992-01-01)
A strain of Klebsiella pneumoniae that used aliphatic nitriles as the sole source of nitrogen was adapted to benzonitrile as the sole source of carbon and nitrogen. Gas chromatographic and mass spectral analyses of culture filtrates indicated that K. pneumoniae
Mahadevappa Naganathappa et al.
Journal of molecular modeling, 17(7), 1695-1705 (2010-11-03)
We report theoretical infrared and electronic absorption spectra of gauche and anti conformers of n-butyronitrile, their ions and 2-methylpropanenitrile isomer of n-butyronitrile. The coupled cluster theory (CCSD) and second order Møller-Plesset perturbation (MP2) theory with TZVP basis set are used
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