CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenyl isocyanate appears as 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. |
|---|---|
| Color/Form | Liquid |
| Odor | Acrid odor |
| Boiling Point | 158-168 °C |
| Melting Point | Freezing point: -30 °C |
| Flash Point | 132 °F (55.5 °C) (Open Cup) |
| Solubility | Decomposes in water, alcohol; very soluble in ether |
| Density | 1.08870 at 25.9 °C/4 °C; 1.0956 at 19.6 °C/4 °C; 1.092 at 15 °C/4 °C; 1.101 at 11.6 °C/4 °C |
| Vapor Density | 1.089 |
| Vapor Pressure | 2.57 [mmHg] |
| Autoignition Temperature | 300 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen cyanide and nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.53412 at 25.9 °C/D; 1.53684 at 19.6 °C/D |
| Kovats Retention Index | 142.8 |
| Other Experimental Properties | Decomposes in water and alcohol |
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 119.12 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 119.037113783 g/mol |
| Monoisotopic Mass | 119.037113783 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phenyl isocyanate appears as 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.