| Identification | More | [Name]
Phenyl isocyanate | [CAS]
103-71-9 | [Synonyms]
AKOS 92485
carbanil
ISO-CYANATOBENZENE
ISOCYANIC ACID PHENYL ESTER
Phenylcarbimide
phenylic mustard oil
PHENYL ISOCYANATE
Additive ti
Benzene,isocyanato-
Fenylisokyanat
isocyanatedephenyle
isocyanato-benzen
Karbanil
Mondur P
mondurp
Phenyl carbonimide
Phenyl ester of isocyanic acid
phenylcarbonimide
pic
1-Isocyanatobenzene | [EINECS(EC#)]
203-137-6 | [Molecular Formula]
C7H5NO | [MDL Number]
MFCD00001994 | [Molecular Weight]
119.12 | [MOL File]
103-71-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Phenyl isocyanate is a colorless liquid with an irritating odor. | [Melting point ]
-30 °C (lit.) | [Boiling point ]
162-163 °C (lit.) | [density ]
1.096 g/mL at 25 °C(lit.)
| [vapor pressure ]
1.4 mm Hg ( 20 °C)
| [refractive index ]
n20/D 1.535(lit.)
| [Fp ]
132 °F
| [storage temp. ]
Flammables area | [solubility ]
Miscible with ether. | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, water, moisture, alcohols, amines, strong bases, strong acids. Protect from air. | [Water Solubility ]
decomposes | [Sensitive ]
Moisture Sensitive | [Merck ]
14,7296 | [BRN ]
471391 | [Dielectric constant]
8.8（20℃） | [LogP]
2.59 at 25℃ | [CAS DataBase Reference]
103-71-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, isocyanato-(103-71-9) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
Phenyl isocyanate (103-71-9) |
| Safety Data | Back Directory | [Hazard Codes ]
T+,T,C | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R34:Causes burns.
R42:May cause sensitization by inhalation.
R52:Harmful to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment . | [RIDADR ]
UN 2487 6.1/PG 1
| [WGK Germany ]
2
| [RTECS ]
DA3675000
| [F ]
21 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
I | [HS Code ]
29291000 | [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. | [Hazardous Substances Data]
103-71-9(Hazardous Substances Data) |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
Isocyanates and thioisocyanates, such as PHENYL ISOCYANATE(103-71-9), 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(103-71-9), 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]. | [Air & Water Reactions]
Flammable. Decomposes in water. | [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. | [Potential Exposure]
Phenyl isocyanate is used as a laboratory reagent and in organic synthesis | [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. | [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. | [Shipping]
UN2487 Phenyl isocyanate, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 3-Flammable liquid | [Incompatibilities]
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. | [Chemical Properties]
colourless to light yellow liquid with an acrid odour | [Chemical Properties]
Phenyl isocyanate is a colorless liquid with an irritating odor. | [Uses]
Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets. | [Uses]
Phenyl Isocyanate is also used in the synthesis of cyanopyridine derivatives in the search for anticancer compounds. It is also used in the synthesis of aminobenzimidazole derivatives with phenylcyclohexyl acetic groups showing antiobesity-antidiabetic activity. | [Definition]
ChEBI: An isocyanate composed of a benzene ring bearing a single isocyanato substituent. | [Preparation]
To a mixture of aniline hydrochloride (12.95 g, 0.1 mol) and dry dioxane (100 mL) was added diphosgene (6.3 mL, 10.4 g, 0.05 mol). The mixture was heated to 60 °C; after stirring for 1.5 h, it became a clear solution. Heating was stopped after 3.5 h and the solvent was removed under reduced pressure. The residue was distilled at 70–73.5 °C (36 mmHg) to give 10.6 g (89%) of phenyl isocyanate. It could be redistilled almost quantitatively, bp 75–77 °C(39 mmHg) or 55–57 °C(16 mmHg). | [Synthesis Reference(s)]
Journal of the American Chemical Society, 90, p. 3295, 1968 DOI: 10.1021/ja01014a089 | [Purification Methods]
Distil phenylisocyanate under reduced pressure from P2O5. [Beilstein 12 IV 864.] |
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