PTSI
p-Toluenesulfonyl isocyanate
CAS: 4083-64-1
Molecular Formula: C8H7NO3S
PTSI - Names and Identifiers
| Name | p-Toluenesulfonyl isocyanate |
| Synonyms | PTSI p-Toluenesulfonylisocyanate p-Toluenesulfonyl isocyanate 4-Isocyanatosulphonyltoluene, Benzenesulfonylisocyanate,4-methyl- Benzenesulfonyl isocyanate, 4-methyl- Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI) |
| CAS | 4083-64-1 |
| EINECS | 223-810-8 |
| InChI | InChI=1/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 |
| InChIKey | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
PTSI - Physico-chemical Properties
| Molecular Formula | C8H7NO3S |
| Molar Mass | 197.21 |
| Density | 1.291g/mLat 25°C(lit.) |
| Melting Point | 5°C |
| Boling Point | 144°C10mm Hg(lit.) |
| Flash Point | >230°F |
| Water Solubility | reacts |
| Vapor Presure | 1 mm Hg ( 100 °C) |
| Appearance | Liquid |
| Specific Gravity | 1.291.291 |
| Color | Clear colorless to yellow |
| BRN | 391287 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.534(lit.) |
| Physical and Chemical Properties | appearance: colorless transparent liquid Chroma: ≤50APHA |
| Use | Used as an intermediate in the synthesis of pharmaceuticals or pesticides |
PTSI - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R14 - Reacts violently with water R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation |
| Safety Description | 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. S30 - Never add water to this product. S28A - |
| UN IDs | UN 2206 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | DB9032000 |
| FLUKA BRAND F CODES | 10 |
| TSCA | Yes |
| HS Code | 29309090 |
| Hazard Class | 6.1 |
| Packing Group | III |
PTSI - Upstream Downstream Industry
| Downstream Products | 4-Methylphenylsulfonylurea |
PTSI - Nature
| storage conditions | Inert atmosphere,2-8°C |
| morphology | Liquid |
| color | Clear colorless to yellow |
| Specific gravity | 1.291.291 |
| water solubility | reacts |
| sensitivity | Moisture Sensitive |
| BRN | 391287 |
| InChIKey | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| NIST chemical information | 4-Methylbenzenesulfonyl isocyanate(4083-64-1) |
| EPA chemical information | Benzenesulfonyl isocyanate, 4-methyl- (4083-64-1) |
Last Update：2024-04-10 22:29:15
PTSI - Security information
| WGK Germany | 1 |
| RTECS number | DB9032000 |
| F | 10 |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| customs code | 29309090 |
Last Update：2024-04-10 22:29:15
PTSI - Reference Information
| LogP | 0.6 at 30℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | synthesis of doxazosin. Used as an intermediate for synthetic medicine or pesticide |
Last Update：2024-04-09 02:00:04
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Downstream Products for PTSI