Phenyl isothiocyanate
Phenyl isothiocyanate
CAS: 103-72-0
Molecular Formula: C7H5NS
Phenyl isothiocyanate - Names and Identifiers
| Name | Phenyl isothiocyanate |
| Synonyms | PITC Fenylisothiokyanat Phenyl mustard oil Phenyl isothiocyanat Phenyl isothiocyanate Isothiocyanatobenzene Benzene,isothiocyanato- Benzene-1-isothiocyanate Phenyl isothiocyanate,PITC Phenyl isothiocyanate solution,PITC PHENYL ISOTHIOCYANATE SOLUTION, FOR PROT.SEQ. ANAL. |
| CAS | 103-72-0 |
| EINECS | 203-138-1 |
| InChI | InChI=1/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | QKFJKGMPGYROCL-UHFFFAOYSA-N |
Phenyl isothiocyanate - Physico-chemical Properties
| Molecular Formula | C7H5NS |
| Molar Mass | 135.19 |
| Density | 1.132g/mLat 20°C(lit.) |
| Melting Point | −21°C(lit.) |
| Boling Point | 218°C(lit.) |
| Flash Point | 190°F |
| Water Solubility | Soluble in alcohol, and ether. Insoluble in water. |
| Solubility | water: insoluble |
| Vapor Presure | 10 hPa (20 °C) |
| Appearance | liquid |
| Specific Gravity | 1.137 (20/4℃) |
| Color | Clear pale yellow to yellow |
| Merck | 14,7297 |
| BRN | 471392 |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids. |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.6515(lit.) |
| Physical and Chemical Properties | Character colorless or yellow liquid. Has a strong pungent odor. melting point -21 ℃ boiling point 221 ℃ relative density 1.1288 refractive index 1.6492 solubility insoluble in water, soluble in ethanol, ether. |
| Use | Is a common raw material for organic synthesis |
Phenyl isothiocyanate - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R34 - Causes burns R42/43 - May cause sensitization by inhalation and skin contact. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed R11 - Highly Flammable R38 - Irritating to the skin R63 - Possible risk of harm to the unborn child R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/38 - Irritating to eyes and skin. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S23 - Do not breathe vapour. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S28A - S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| RTECS | NX9275000 |
| FLUKA BRAND F CODES | 19 |
| TSCA | Yes |
| HS Code | 2930 90 98 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 157 mg/kg |
Phenyl isothiocyanate - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| purpose | is a common organic synthesis raw material amino acid derivative reagent, UV detection. The derivatization was completed in 5-10 minutes and the excess reagent was distilled off. organic analysis to identify primary amines and nitriles. Peptide sequence study. Used in the pharmaceutical industry and in organic synthesis. Chromatographic derivatization reagent |
| production method | is obtained by reacting diphenyl thiourea with hydrochloric acid. The diphenyl thiourea is added to hydrochloric acid to heat and dissolve, and the produced phenyl isothiocyanate is distilled. In the distilled oil, an equal volume of water is added to wash, the aqueous layer is separated, and then the dilute alkali solution is washed. After washing with a large amount of water, dry with anhydrous calcium chloride, and collect 120-121 ° C. (4.66kPa), which is the finished product. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | intraperitoneal-rat LDL0: 150 mg/kg; Oral-mouse LD50: 87 mg/kg |
| flammability hazard characteristics | open flame flammability; High thermal decomposition; discharge of cyanide and sulfur oxide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| extinguishing agent | dry powder, foam, carbon dioxide, sand. (Acid-base extinguishing agent is not allowed). |
Last Update：2024-04-09 15:16:45
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