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Merck
CN

45576

Methyl isothiocyanate

PESTANAL®, analytical standard

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About This Item

Linear Formula:
CH3NCS
CAS Number:
556-61-6
Molecular Weight:
73.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329756828
EC Number:
209-132-5
Beilstein/REAXYS Number:
605319
MDL number:
MFCD00004818

Key Documents

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InChI key

LGDSHSYDSCRFAB-UHFFFAOYSA-N

InChI

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

SMILES string

CN=C=S

grade

analytical standard

vapor pressure

21 mmHg ( 20 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

117-118 °C (lit.)

mp

30-34 °C (lit.)

density

1.069 g/cm3 at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

storage temp.

2-8°C

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

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

Storage Class

3 - Flammable liquids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCF1549
BCBX3930

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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.
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
Katy L Swancutt et al.
Chemosphere, 81(3), 339-344 (2010-08-11)
Methyl isothiocyanate (MITC), a toxic and corrosive skin and respiratory irritant, is a common soil fumigant byproduct which has become an atmospheric, aqueous, and soil contaminant. The work described here examines the degradation and potential removal of MITC from contaminated
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
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