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112771

Sigma-Aldrich

Methyl isothiocyanate

97%

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Synonym(s):
Isothiocyanatomethane, Isothiocyanic acid methyl ester
Linear Formula:
CH3NCS
CAS Number:
556-61-6
Molecular Weight:
73.12
Beilstein:
605319
EC Number:
209-132-5
MDL number:
MFCD00004818
UNSPSC Code:
12352100
PubChem Substance ID:
24847115
NACRES:
NA.22

vapor pressure

21 mmHg ( 20 °C)

Quality Level

200

Assay

97%

bp

117-118 °C (lit.)

mp

30-34 °C (lit.)

solubility

H2O: slightly soluble

density

1.069 g/cm3 at 25 °C (lit.)

SMILES string

CN=C=S

InChI

1S/C2H3NS/c1-3-2-4/h1H3

InChI key

LGDSHSYDSCRFAB-UHFFFAOYSA-N

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General description

Methyl isothiocyanate (MITC) is a common soil fumigant byproduct that is toxic and corrosive, skin and respiratory irritant. It can be degraded and removed from contaminated waters by free radical reactions†.

Methyl isothiocyanate is an active chemical used as an anti-fermentative agent in wine and as an effective insecticide.

Application

Methyl isothiocyanate can be used:
  • For amino acid sequence analysis
  • To study the effect of pesticide Metam (methyl isothiocyanate is its active ingredient) in the streamside microbial communities

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Bio-inspired ultrasensitive colorimetric detection of methyl isothiocyanate on nylon-6 nanofibrous membrane: A comparison of biological thiol reactivities
Peixin T et al.
Journal of Hazardous Materials, 362, 375-382 (2019)
Keiji Nishiwaki et al.
Bioorganic & medicinal chemistry, 15(3), 1341-1345 (2006-11-28)
Tetrahydrobenzotriazines, a novel class of heterocyclic compounds, were synthesized. Examination of their biological activities resulted in the discovery that some of them possess potent nematocidal activity.
YongLin Ren et al.
Pest management science, 68(2), 194-201 (2011-07-23)
Methyl bromide is being phased out for use on stored commodities, as it is listed as an ozone-depleting substance, and phosphine is the fumigant widely used on grains. However, phosphine resistance occurs worldwide, and phosphine fumigation requires a long exposure
William S Cain et al.
Regulatory toxicology and pharmacology : RTP, 58(2), 173-180 (2010-07-17)
An unpublished laboratory study by Russell and Rush (1996) showed that human subjects sense the presence of methyl isothiocyanate (MITC) via the eyes at concentrations as low as hundreds of ppb in air, with dependence upon duration of exposure. The
Yonglin Ren et al.
Journal of economic entomology, 101(2), 623-630 (2008-05-08)
Australian Standard White wheat, Triticum aestivum L. (a marketing grade with mixed grain hardness),with a moisture content of 12.5% was fumigated with a new ethyl formate formulation (95% ethyl formate plus 5% methyl isothiocyanate) identified and developed by Commonwealth Scientific
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