1-Chloro-4-isocyanatobenzene

  • 4-Chlorophenyl isocyanate
Formula
C7H4ClNO
Structure
Description
Colorless to yellow liquid or crystals.
Uses
Chemical intermediate for herbicides- difluron, buturon, & monolinuron.

Registry Numbers and Inventories.
CAS
104-12-1
EC (EINECS/ELINCS)
203-176-9
R 26 25 36/37/38 42/43
S 22 26 36/37/39 45
RTECS
NQ8575000
RTECS class
Human Data; Primary Irritant
UN (DOT)
2206
Beilstein/Gmelin
1897458
Swiss Giftliste 1
G-3959
Canada DSL/NDSL
NDSL
US TSCA
Listed
New Zealand
Listed
Korea ECL
Listed

Properties.
Formula
C7H4ClNO
Formula mass
153.57
Melting point, °C
31 - 32
Boiling point, °C
203
Vapor pressure, mmHg
0.27 (25 C)
Density
1.200 g/cm3 (20 C)
Solubility in water
Insoluble
Refractive index
1.56 (20 C)
Partition coefficient, pKow
3.42
Heat of vaporization
44.1 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
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. 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
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, using the appropriate protective equipment. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Moisture, acids, alcohols, amines, heat, oxidizing agents, strong bases.
Decomposition
Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen, hydrocarbons.

Fire.
Flash Point,°C
76
Autoignition, °C
>450
Upper exp. limit, %
6.8
Lower exp. limit, %
2.3
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing media: For large fires, use water spray, fog, or alcohol-resistant foam. Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use carbon dioxide, dry chemical, dry sand, or alcohol-resistant foam. Most foams will react with the material and release corrosive/toxic gases. Cool containers with flooding quantities of water until well after fire is out.
Fire potential
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Hazards
Vapors form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
1
 
 
Reactivity
0
 

Health.
Poison_Class
2
Exposure effects
May cause liver and kidney damage. Effects may be delayed. May cause lung damage. Repeated or prolonged exposure may cause allergic reactions in sensitive individuals. Inhalation of product may aggravate existing chronic repiratory problems such as asthma, emphysema or bronchitis.
   Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver and kidney damage. May cause cardiac disturbances. May cause central nervous system depression.
   Inhalation
Causes respiratory tract irritation. May cause liver and kidney damage. Exposure produces central nervous system depression. At high concentrations, isocyanates affect mucous membranes of the respiratory tract and may lead to fatal pulmonary edema. Exposure to low and often even unmeasurable isocyanate concentration results in sensitization. May cause cardiac abnormalities.
   Skin
Causes skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
   Eyes
Produces irritation, characterized by a burning sensation, redness, tearing, inflammation, and possible corneal injury. Lachrymator. May cause conjunctivitis, ulceration and turbidity of the cornea.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   Inhalation
Get medical aid immediately. Remove from exposure to fresh air immediately. If breathing is difficult, give oxygen. DO NOT use mouth-to-mouth respiration. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
   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.
   Eyes
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub or keep eyes closed.

Transport.
UN number
2206
Response guide
Hazard class
6.1
Packing Group
II; III