Phenyl isocyanate

  • Isocyanatobenzene
  • Carbanilphenylcarbimide
Formula
C6H5NCO
Structure
Description
Colorless to light yellow liquid with a strong pungent odor, lachrymator.
Uses
Reagent for identifying alcohols & amines, intermediate.

Registry Numbers and Inventories.
CAS
103-71-9
EC (EINECS/ELINCS)
203-137-6
EC Class
flammable, very toxic, corrosive, sensitizing
R 10 22 26 34 42/43
S 23 26 36/37/39 45
RTECS
DA3675000
RTECS class
Mutagen
UN (DOT)
2487
Merck
12,7449
Beilstein/Gmelin
471391
Beilstein Reference
4-12-00-00864
Swiss Giftliste 1
G-2728
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C7H5NO
Formula mass
119.12
Melting point, °C
-33
Boiling point, °C
165
Vapor pressure, mmHg
15 (57 C)
Vapor density (air=1)
3
Saturation Concentration
Approximately 2000 ppm at 20 C; 4870 ppm at 24 C (calculated)
Critical temperature
402
Critical pressure
44.81
Density
1.1152 - 1.063 g/cm3 (0 - 50 C)
Solubility in water
Reacts
Viscosity
133 cp (0 C)
Refractive index
1.53684 (20 C)
Heat of fusion
13.47 kJ/mol
Heat of vaporization
40.41 kJ/mol
Heat of combustion
-3408 kJ/mol

Hazards and Protection.
Storage
Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Keep under an argon blanket. Keep away from water. Flammables-area.
B3 D1A D2A D2B
Handling
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid contact with heat, sparks and flame. Do not get on skin or in eyes. Do not ingest or inhale. Do not allow contact with water. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
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
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. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Do not expose spill to water.
Disposal code
9
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Water, alcohols, strong bases, amines, acids, heat, and strong oxidizing agents. Has exploded when stirred with cobalt pentammine triazoperchlorate + nitrosyl perchlorate.
Decomposition
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.

Fire.
Flash Point,°C
51
Autoignition, °C
645
Upper exp. limit, %
8.4
Lower exp. limit, %
1.3
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. Extinguishing media: Do NOT use alcohol foams. DO NOT USE WATER! Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use dry chemical, carbon dioxide, or water spray. Cool containers with flooding quantities of water until well after fire is out.
Fire potential
HIGHLY FLAMMABLE.
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. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
4
 
Flammability
2
 
 
Reactivity
1
 

Health.
Poison_Class
2
Exposure effects
Prolonged inhalation may cause respiratory tract inflammation and lung damage. Repeated exposure may cause allergic respiratory reaction (asthma).
   Ingestion
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
   Inhalation
May cause cyanosis, characterized by bluish-colored skin. Causes respiratory tract irritation. May cause allergic respiratory reaction. May cause pulmonary edema and severe respiratory disturbances.
   Skin
Causes skin irritation.
   Eyes
Causes severe eye irritation. Vapors may cause eye irritation. Lachrymator.

First aid
 
   Ingestion
If victim is conscious and alert, give 2-4 cupfuls of milk or water. 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 not breathing, give artificial respiration. If breathing is difficult, give oxygen.
   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.

Transport.
UN number
2487
Response guide
Hazard class
6.1
PRTC
T
Packing Group
I
 
HS Code
2929 10 90
 
Std. Transport #
4921216