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Phenyl isocyanate

Phenyl isocyanate
Phenyl isocyanate structure
Chemical Name:
Phenyl isocyanate
pic;mondurp;carbanil;Karbanil;Mondur P;carbanile;AKOS 92485;Additive ti;Fenylisokyanat;Phenylcarbimide
Molecular Formula:
Formula Weight:
MOL File:

Phenyl isocyanate Properties

Melting point:
-31.3 °C
Boiling point:
162-163 °C(lit.)
1.096 g/mL at 25 °C(lit.)
vapor pressure 
1.4 mm Hg ( 20 °C)
refractive index 
n20/D 1.535(lit.)
Flash point:
132 °F
storage temp. 
Flammables area
Miscible with ether.
Clear colorless to slightly yellow
Water Solubility 
Moisture Sensitive
Stable. Combustible. Incompatible with strong oxidizing agents, water, moisture, alcohols, amines, strong bases, strong acids. Protect from air.
CAS DataBase Reference
103-71-9(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, isocyanato-(103-71-9)
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  T+,T,C
Risk Statements  10-22-26-34-42-52-36/37/38
Safety Statements  16-26-28-36/37/39-45-38-28A
RIDADR  UN 2487 6.1/PG 1
WGK Germany  2
RTECS  DA3675000
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  I
HS Code  29291000
Hazardous Substances Data 103-71-9(Hazardous Substances Data)
Signal word: Danger
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H226 Flammable liquid and vapour Flammable liquids Category 3 Warning
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H314 Causes severe skin burns and eye damage Skin corrosion/irritation Category 1A, B, C Danger P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
H317 May cause an allergic skin reaction Sensitisation, Skin Category 1 Warning P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H318 Causes serious eye damage Serious eye damage/eye irritation Category 1 Danger P280, P305+P351+P338, P310
H330 Fatal if inhaled Acute toxicity,inhalation Category 1, 2 Danger P260, P271, P284, P304+P340, P310,P320, P403+P233, P405, P501
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled Sensitisation, respiratory Category 1 Danger P261, P285, P304+P341, P342+P311,P501
Precautionary statements:
P320 Specific treatment is urgent (see … on this label).
P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405 Store locked up.

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Phenyl isocyanate Chemical Properties,Uses,Production

Chemical Properties

colourless to light yellow liquid with an acrid odour

Chemical Properties

Phenyl isocyanate is a colorless liquid with an irritating odor.


ChEBI: An isocyanate composed of a benzene ring bearing a single isocyanato substituent.

General Description

A colorless liquid. About the same density as water. Very toxic by ingestion, inhalation or skin absorption. Very irritating to skin, eyes and mucous membranes. Flash point 132°F.

Air & Water Reactions

Flammable. Decomposes in water.

Reactivity Profile

Isocyanates and thioisocyanates, such as Phenyl isocyanate, 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. Phenyl isocyanate, cobalt pentamine triazo perchlorate, and nitrosyl perchlorate mixture was stirred for 2-3 minutes. When the stirring was interrupted, the mixture exploded [Chem. Eng. News 46(8):39. 1968].

Health Hazard

TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. 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.

Safety Profile

A poison. An irritant. Mutation data reported. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. Has exploded when stirred with (cobalt pentammine triazoperchlorate + nitrosyl perchlorate). When heated to decomposition it emits toxic fumes of CNand NOx. See also CYANATES.

Potential Exposure

Phenyl isocyanate is used as a laboratory reagent and in organic synthesis

Enzyme inhibitor

This toxic liquid, also known as isocyanatobenzene and phenyl isocyanate (FW = 119.12 g/mol; melting point = –30 °C boiling point = 158-168°C), can react with the free amino group at the N-terminus of a peptide or protein, transiently producing the hydantoic acid derivative. This product subsequently generates the phenyl hydantoin derivative upon cleavage of the N-terminal aminoacyl residue. Target(s): alkaline phosphatase; amylase, pancreatic; ribonuclease, pancreatic; and urease.

First aid

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 2448 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.


UN2487 Phenyl isocyanate, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 3-Flammable liquid

Purification Methods

Distil phenylisocyanate under reduced pressure from P2O5. [Beilstein 12 IV 864.]


May form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents, urethanes, ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acyl-chlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber and coatings. Contact with metals may evolve flammable hydrogen gas. May accumulate static electrical charges, and may cause ignition of its vapors.

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