ISO-CYANATOBENZENE
Phenyl isocyanate
CAS: 103-71-9
Molecular Formula: C7H5NO
ISO-CYANATOBENZENE - Names and Identifiers
| Name | Phenyl isocyanate |
| Synonyms | carbanil AKOS 92485 Additive ti Phenylcarbimide PHENYL ISOCYANATE Phenyl isocyanate ISO-CYANATOBENZENE phenylic mustard oil ISOCYANIC ACID PHENYL ESTER |
| CAS | 103-71-9 |
| EINECS | 203-137-6 |
| InChI | InChI=1/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H |
ISO-CYANATOBENZENE - Physico-chemical Properties
| Molecular Formula | C7H5NO |
| Molar Mass | 119.12 |
| Density | 1.096 g/mL at 25 °C (lit.) |
| Melting Point | -30 °C (lit.) |
| Boling Point | 162-163 °C (lit.) |
| Flash Point | 132°F |
| Water Solubility | decomposes |
| Solubility | Miscible with ether. |
| Vapor Presure | 1.4 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Merck | 14,7296 |
| BRN | 471391 |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, water, moisture, alcohols, amines, strong bases, strong acids. Protect from air. |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.535(lit.) |
| Physical and Chemical Properties | Vapor pressure: 1.4mm Hg ( 20 ℃) storage conditions: flagmab les area sensitivity: motion Sensitive WGK Germany:2 RTECS:DA3675000 |
ISO-CYANATOBENZENE - Risk and Safety
| Risk Codes | 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 Description | S16 - Keep away from sources of ignition. 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 soap-suds. 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 the label whenever possible.) S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S28A - |
| UN IDs | UN 2487 6.1/PG 1 |
| WGK Germany | 2 |
| RTECS | DA3675000 |
| FLUKA BRAND F CODES | 21 |
| TSCA | Yes |
| HS Code | 29291000 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | I |
ISO-CYANATOBENZENE - Nature
Open Data Verified Data
colorless liquid. There is a spicy smell and strong refractive. In water, alcohol decomposition. Very soluble in ether, benzene and chloroform. Eye irritation. Relative density 1. 0956(19.6/4 ℃), boiling point 158~168 ℃, refractive index 1. 53684 (19.6 °c), freezing point -30 °c (approximate), flash point 237.6 °c (Open Cup).
Last Update：2024-01-02 23:10:35
ISO-CYANATOBENZENE - Preparation Method
Open Data Verified Data
- Phosgene Method
- triphosgene method
- one-step carbonylation
- dimethyl carbonate method
- two-step carbonylation
In the above five methods, the dimethyl carbonate method only produces methanol by-product, and methanol is the raw material for the synthesis of dimethyl carbonate, which is a clean production process. In addition, the triphosgene method produces hydrochloric acid by-product, china has now introduced hydrochloric acid electrolysis drape, can make the method of forming a closed cycle, but also a potential production method.
Last Update：2022-01-01 10:55:01
ISO-CYANATOBENZENE - Use
Open Data Verified Data
This product is a pesticide intermediate, is an intermediate of substituted urea bactericide penturon, also used in the manufacture of other phenyl substituted urea compounds.
Last Update：2022-01-01 10:55:00
ISO-CYANATOBENZENE - Safety
Open Data Verified Data
- This product is toxic. LD50 940mg/kg (Rat oral). After inhalation of this product on the respiratory tract has a strong irritation, can cause pulmonary edema. It is irritating to the eyes and skin and can cause burns. Oral irritation and Burns of the oral cavity and digestive tract. Production should be strictly sealed to provide adequate local ventilation. Safety shower and eye wash available. Wear a gas mask when possible contact with its vapor. Wear chemical-resistant gloves.
- crisis Regulation No. 61109, small opening steel barrel; Threaded mouth glass bottle, steel cover pressure mouth glass bottle, plastic bottle or metal barrel outer wooden board box; Plastic bottle, tin-plated thin steel plate barrel outer full bottom flower box. Store in a cool, ventilated warehouse. Keep away from fire and heat sources to prevent direct sunlight. Keep the container sealed. Pay attention to moisture and rain, should be stored separately from oxidants, acids, edible chemicals.
Last Update：2022-01-01 10:55:01
ISO-CYANATOBENZENE - Reference Information
| LogP | 2.59 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | colorless, light yellow transparent liquid |
| introduction | laccase (Laccase) is a copper-containing polyphenol oxidase. It is a fungal strain that produces laccase from white rot fungi. Under induction conditions, it is extracted, separated and purified to obtain laccase protein with electrophoresis purity. Applicable areas: First, applicable to the pulp and paper industry. Second, it is applicable to the wood processing industry. Third, it is applicable to the field of environmental protection. Fourth, it is suitable for the processing industry of beverages and food. Fifth, the textile industry |
| Uses | Used as an intermediate in organic synthesis Phenyl isocyanate is an intermediate of the plant growth regulator forchlorfenuron. Used as an intermediate in organic synthesis. Used in the synthesis of medicines, pesticides and polymer materials, etc. Mainly used in pesticide intermediates, refrigerants, solvents, extractants, polymer catalysts and stabilizers |
| Production method | It is obtained by reacting aniline hydrochloride with phosgene in solvent toluene. Dissolve aniline in toluene, heat to 70°C, and pass in dry hydrogen chloride until saturated. The mixture is then heated to boiling and phosgene is introduced until the solution brightens. This solution is fractionated and the fraction at 158-168°C is collected to obtain phenyl isocyanate. 83% yield. The preparation method is to use aniline as raw material, first form aniline hydrochloride with hydrochloric acid, and then react with phosgene at a certain temperature to obtain the product. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | oral-mouse LD50: 196 mg/kg |
| flammability hazard characteristics | open flame is combustible; combustion releases toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants, acids and food additives |
| fire extinguishing agent | dry stone powder, dry powder, carbon dioxide, dry sand, 1211 fire extinguishing agent. (Acid-base fire extinguishing agent is disabled). |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
