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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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Methyl isothiocyanate in wine.
C Rostron
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 30(9), 821-823 (1992-09-01)
Y Zhang et al.
Chemosphere, 68(3), 445-454 (2007-02-10)
The environmental fate of fumigants methyl isothiocyanate (MITC) and chloropicrin (CP) is of great concern for potential air and groundwater contamination while retaining sufficient concentrations for pest control efficacy. The emission, gas phase distribution, leaching, and persistence of MITC and
Catherine R Simpson et al.
Pest management science, 66(6), 686-692 (2010-03-17)
Metam-sodium (MS, sodium methyldithiocarbamate) has been identified as a promising alternative chemical to replace methyl bromide (MeBr) in soil preplant fumigation. One degradation product of MS in soil is the volatile gas methyl isothiocyanate (MITC) which controls soilborne pests. Inconsistent
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
Ben Warton et al.
Pest management science, 61(9), 856-862 (2005-07-13)
Enhanced biodegradation of soil-applied pesticides has long been correlated with soil pH above ca 6.5-7.5, but the possibility of confounding or interdependence with calcium, given that soil calcium concentration increases exponentially as pH rises above that range, has not previously
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