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556-61-6

556-61-6 structural image
Product Name: Methyl isothiocyanate
Formula: C2H3NS
Synonyms: High affinity nerve growth factor receptor;MTC;NTRK1;TRK;TRKA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyl isothiocyanate appears as a colorless liquid with a sharp odor. Lethal by inhalation of even small quantities of vapor. Does not have odor warning characteristics at low concentrations. Do not rely on the sense of smell to warn about the presence of vapors. Denser than water. May cause tearing and irritate the eyes, skin, nose and throat.
Color/Form Colorless crystals
Odor Horseradish-like odor
Boiling Point 246 °F at 760 mmHg (EPA, 1998)
Melting Point 95 to 97 °F (EPA, 1998)
Flash Point 20 °F
Solubility Readily soluble in common organic solvents, such as ethanol, methanol, acetone, cyclohexanone, dichloromethane, chloroform, carbon tetrachloride, benzene, xylene, petroleum ether, and mineral oils.
Density 1.069 at 98.6 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 2.53 (Air = 1)
Vapor Pressure 39.29 mmHg (USCG, 1999)
LogP log Kow = 0.94
Autoignition Temperature 698 °F. /MITC-Fume/
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides & sulfur oxides/.
Corrosivity Corrosive to iron, zinc and other metals
Odor Threshold Odor Threshold Low: 1.7 [mmHg]
Refractive Index Index of refraction: 1.5258 for 37 °C/D
Dissociation Constants pKa = 12.30
Kovats Retention Index 705 709 689 704 704
Other Experimental Properties Saturated concentration: 75.6 g/cu m @ 20 °C; 115 g/cu m @ 30 °C
Chemical Classes Nitrogen Compounds -> Isothiocyanates

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 73.12 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 72.99862027 g/mol
Monoisotopic Mass 72.99862027 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 44
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl isothiocyanate appears as a colorless liquid with a sharp odor. Lethal by inhalation of even small quantities of vapor. Does not have odor warning characteristics at low concentrations. Do not rely on the sense of smell to warn about the presence of vapors. Denser than water. May cause tearing and irritate the eyes, skin, nose and throat.

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