556-61-6
Product Name:
Methyl isothiocyanate
Formula:
C2H3NS
Synonyms:
High affinity nerve growth factor receptor;MTC;NTRK1;TRK;TRKA
Inquiry
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.