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Cas Database |
| Name |
Methyl isothiocyanate |
EINECS | 209-132-5 |
| CAS No. | 556-61-6 | Density | 0.95 g/cm3 |
| PSA | 44.45000 | LogP | 0.71900 |
| Solubility | 7.6 g/L in water | Melting Point |
30-34 °C(lit.) |
| Formula | C2H3NS | Boiling Point | 107.8 °C at 760 mmHg |
| Molecular Weight | 73.1185 | Flash Point | 32.2 °C |
| Transport Information | UN 2477 6.1/PG 1 | Appearance | colourless solid |
| Safety | 36/37-38-45-60-61 | Risk Codes | 23/25-34-43-50/53 |
| Molecular Structure |
|
Hazard Symbols |
 T, N
|
| Synonyms |
Isothiocyanicacid, methyl ester (6CI,8CI);Isothiocyanatomethane;MIT;MIT (pesticide);Methyl isothiocyanate;Methyl isothiocyanide;Methyl mustard;Methyl mustardoil;Methyl thioisocyanate;Morton EP-161E;Trapex;Trapex (soil fumigant);Trapexide;Tropex;WN 12; |
Article Data | 86 |
Methyl isothiocyanate Synthetic route
| Conditions | Yield |
|---|---|
| at 250 - 260℃; | A 96% B n/a |
- 137-42-8
sodium N-methyldithiocarbamate
- 4903-36-0
N-phenyl-benzimidoyl chloride
A
- 556-61-6
methyl thioisocyanate
B
- 636-04-4
N-Phenylbenzothioamide
| Conditions | Yield |
|---|---|
| In diethyl ether 0 deg C to r.t.; | A 51% B 95% |
- 82561-29-3
O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate
A
- 82597-70-4
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| With methyl isocyanate for 24h; Ambient temperature; then distillation; | A 90% B 92% |
- 624-83-9
methyl isocyanate
A
- 82597-70-4
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| With O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate for 24h; | A 90% B 92% |
A
- 82597-70-4
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| for 24h; Ambient temperature; then distillation; | A 90% B 92% |
- 75-15-0
carbon disulfide
- 17986-01-5
N-methyl-P,P,P-triphenylphosphine imide
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| In benzene for 2h; Heating; | 80% |
| Conditions | Yield |
|---|---|
| Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 85℃; Stage #2: With chloroformic acid ethyl ester at 35 - 40℃; | 61% |
| Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 40℃; for 2h; Stage #2: With chloroformic acid ethyl ester In water for 1.5h; | 61% |
- 67601-94-9
1,3-dimethyltetraphenylcyclodigermazane
A
- 84973-35-3
((C6H5)2GeS)2
B
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| With carbon disulfide In benzene-d6 under Ar or N2, PhNCO and CS2 were added to a soln. of (Ph2GeNMe)2, 12 h at 20°C; gas chromy.; | A 40.5% B 39% |
| Conditions | Yield |
|---|---|
| Stage #1: methylamine With carbon disulfide; triethylamine at 0℃; for 2h; Stage #2: With lead(II) nitrate; sulfuric acid In water Further stages.; | 24.98% |
- 67601-94-9
1,3-dimethyltetraphenylcyclodigermazane
- 103-72-0
phenyl isothiocyanate
A
- 84973-35-3
((C6H5)2GeS)2
B
- 84973-41-1
(C2N3Ge)(C6H5)4(S)2CH3
C
- 556-61-6
methyl thioisocyanate
| Conditions | Yield |
|---|---|
| In benzene-d6 under Ar or N2, PhNCS was added to a soln. of (Ph2GeNMe)2, 17 h at 100°C; | A 20% B 45-65 C 22% |
Methyl isothiocyanate Chemical Properties
Chemical Name: Methyl isothiocyanate
IUPAC NAME: Methylimino(sulfanylidene)methane
CAS No.: 556-61-6
EINECS: 209-132-5
RTECS: PA9625000
Molecular Formula: C2H3NS
Molecular Weight: 73.12 g/mol
Melting Point: 30-34 °C(lit.)
Density: 0.95 g/cm3
Flash Point: 32.2 °C
Boiling Point: 107.8 °C at 760 mmHg
Storage temp.: 2-8°C
Water Solubility: 7.6 g/L
Sensitive: Moisture Sensitive
Following is the structure of Isothiocyanatomethane (556-61-6):
Product Categories about Isothiocyanatomethane (556-61-6) are Organics ; Organic Building Blocks ; Sulfur Compounds ; Thiocyanates/Isothiocyanates ; Alpha sort ; Fungicides ; Herbicides ; H-MAlphabetic ; M ; META - METHPesticides&Metabolites ; NematicidesPesticides ; Others ; OthersPesticides&Metabolites
The chemical synonymous of Isothiocyanatomethane (556-61-6) are Akos Bbs-00004313 ; Isothiocyanatomethane ; Isothiocyanic acid methyl ester ; Methyl mustard-oil ; Methyl isothiocyanate ; mit ; Mitc ; Mustard oil
Methyl isothiocyanate Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 2. | eye-rbt 100 mg SEV | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 3. | orl-wmn LDLo:1 g/kg:CNS | BMJOAE British Medical Journal. 283 (1981),18. | ||
| 4. | orl-rat LD50:72 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 5. | ihl-rat LC50:1900 mg/m3/1H | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 6. | ipr-rat LD50:54 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 7. | scu-rat LD50:59 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 8. | orl-mus LD50:90 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 15 (1990),297. | ||
| 9. | skn-rat LD50:2780 mg/kg | 85DPAN Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow,Berlin, Germany.: Verlag Paul Parey,1971/76. | ||
| 10. | orl-mus LD50:97 mg/kg | PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc. (Topeka, KS.: )1966,729. | ||
Methyl isothiocyanate Consensus Reports
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
Methyl isothiocyanate Safety Profile
A poison by ingestion, skin contact, and subcutaneous routes. Very irritating to skin, eyes, and mucous membranes. Human systemic effects by ingestion: convulsions, change in motor activity, coma. An agricultural chemical and pesticide. Flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES.
Hazard Codes:
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N: Dangerous for the environment .gif){kind=small}
Risk Statements about Isothiocyanatomethane (556-61-6):
R23/25 Toxic by inhalation and if swallowed.
R34 Causes burns.
R43 May cause sensitization by skin contact.
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements about Isothiocyanatomethane (556-61-6):
S36/37 Wear suitable protective clothing and gloves.
S38 In case of insufficient ventilation, wear suitable respiratory equipment.
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
S60 This material and its container must be disposed of as hazardous waste.
S61 Avoid release to the environment. Refer to special instructions/safety data sheets.
Attention:
1. Storage: Keep away from sources of ignition. Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Use spark-proof tools and explosion proof equipment. Loosen closure cautiously before opening. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
3. Reactivity Profile: Isocyanates and thioisocyanates, such as Methyl isothiocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol.
Methyl isothiocyanate Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid, Poison
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