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E33904

Ethyl isothiocyanate

Name: Ethyl isothiocyanate
Brand: ALDRICH

97%

Synonym(s):

Ethyl mustard oil

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About This Item

Linear Formula:

C₂H₅NCS

CAS Number:

542-85-8

Molecular Weight:

87.14

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24894513

EC Number:

208-831-2

Beilstein/REAXYS Number:

1737705

MDL number:

MFCD00004820

Assay:

97%

Form:

liquid

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Properties

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.512 (lit.)

bp

130-132 °C (lit.)

mp

−6 °C (lit.)

density

0.995 g/mL at 25 °C (lit.)

SMILES string

CCN=C=S

InChI

1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

InChI key

HBNYJWAFDZLWRS-UHFFFAOYSA-N

Description

signalword

Danger

Storage Class

3 - Flammable liquids

wgk

WGK 3

ppe

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

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1B

flash_point_f

88.7 °F - closed cup

flash_point_c

31.5 °C - closed cup

Regulatory Information

危险化学品

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Paradoxical effect of synthetic hydroxy isothiocyanates on antimicrobial action of aminoglycosides.

Hirokuni Tajima et al.

Bioscience, biotechnology, and biochemistry, 67(8), 1844-1846 (2003-09-03)

Hydroxy isothiocyanates, especially 2-(4-hydroxyphenyl)ethyl isothiocyanate (hITC), were examined for antimicrobial synergism with streptomycin (SM) against Escherichia coli. On the course of those experiments, a peculiar suppression of SM by a low concentration of hITC was observed, besides the antibacterial synergism

Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.

James R Durig et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(3), 783-795 (2007-04-17)

Variable temperature (-105 to -150 degrees C) studies of the infrared spectra (3500-400 cm(-1)) of ethylisothiocyanate, CH(3)CH(2)NCS, dissolved in liquid krypton have been recorded. Additionally the infrared spectra of the gas and solid have been re-investigated. These spectroscopic data indicate

Enhanced in vitro biological activity of synthetic 2-(2-pyridyl) ethyl isothiocyanate compared to natural 4-(methylsulfinyl) butyl isothiocyanate.

Antonietta Melchini et al.

Journal of medicinal chemistry, 55(22), 9682-9692 (2012-09-25)

Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC, 2-(2-pyridyl) ethyl ITC (PY-ITC), and assessed its chemopreventive ability in comparison to sulforaphane

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Global Trade Item Number

SKU	GTIN
E33904-10G	04061837252952
E33904-50G	04061837252976