4-Anisyl isothiocyanate

  • p-Anisyl isothiocyanate
  • 4-Methoxyphenyl isothiocyanate
  • p-Methoxyphenyl isothiocyanate
  • 4-(Isothiocyanato)anisole
  • 1-Isothiocyanato-4-methoxybenzene
  • Isothiocyanic acid, p-methoxyphenyl ester
Formula
4-(CH3O)C6H4NCS
Structure
Description
Colorless liquid. Fish-like odor.

Registry Numbers and Inventories.
CAS
2284-20-0
EC (EINECS/ELINCS)
218-921-3
R 20/21/22 34
S 26 36/37/39 45
UN (DOT)
1760
Beilstein/Gmelin
606967
Beilstein Reference
4-13-00-01207
New Zealand
Listed

Properties.
Formula
C8H7NOS
Formula mass
165.22
Melting point, °C
17 - 19
Boiling point, °C
279 - 281
Vapor pressure, mmHg
0.0064 (25 C)
Vapor density (air=1)
5.70
Density
1.1793 g/cm3 (25 C)
Solubility in water
Insoluble
Refractive index
1.65 (20 C)
Partition coefficient, pKow
3.06
Heat of vaporization
49.8 kJ/mol

Hazards and Protection.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
Handling
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, using the appropriate protective equipment. Use water spray to disperse the gas/vapor. Provide ventilation. Do not get water inside containers. A vapor suppressing foam may be used to reduce vapors.
Disposal code
9
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Moisture, strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Decomposition
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.

Fire.
Flash Point,°C
120
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Combustion generates toxic fumes. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Do NOT get water inside containers. For large fires, use water spray, fog or alcohol-resistant foam. Do NOT use straight streams of water. Most foams will react with the material and release corrosive/toxic gases.
Fire potential
Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Hazards
Contact with metals may evolve flammable hydrogen gas.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
1
 
 
Reactivity
0
 

Health.
Exposure effects
Chronic inhalation may cause effects similar to those of acute inhalation.
   Ingestion
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
   Inhalation
May cause respiratory tract irritation. May cause asthmatic attacks due to allergic sensitization of the respiratory tract. The toxicological properties of this substance have not been fully investigated.
   Skin
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
   Eyes
May cause eye irritation.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration.
   Skin
Get medical aid. Immediately flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
1760
Response guide
Hazard class
8
Packing Group
I; II; III
 
HS Code
2930 90 70