4-Methylphenyl isothiocyanate
Synonym(s):4-Methylphenyl isothiocyanate
- CAS NO.：622-59-3
- Empirical Formula: C8H7NS
- Molecular Weight: 149.21
- MDL number: MFCD00004813
- EINECS: 210-745-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:19:05
What is 4-Methylphenyl isothiocyanate?
Chemical properties
clear light yellow liquid after melting
The Uses of 4-Methylphenyl isothiocyanate
p-Tolyl isothiocyanate has been used in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.
The Uses of 4-Methylphenyl isothiocyanate
p-Tolyl isothiocyanate has been used:
- in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione
- as capping agent to cap the N-terminal ends of polypeptides
General Description
p-Tolyl isothiocyanate reacts with 6-hydroxy-2,4,5-triaminopyrimidine or with 4,5,6-triaminopyrimidine in DMF and triethylamine to yield 2,4-diamino-5-(p-tolylthioureido)aminopyrimidin-6-one and 4,6-diamino-5-(tolylthioureido)aminopyrimidine, respectively.
Properties of 4-Methylphenyl isothiocyanate
| Melting point: | 25-26 °C (lit.) |
| Boiling point: | 237 °C (lit.)
62 °C/0.3 mmHg (lit.) |
| Density | 1.1442 (rough estimate) |
| refractive index | n |
| Flash point: | 107 °C |
| storage temp. | Store below +30°C. |
| form | powder to lump |
| color | White to Light yellow |
| Water Solubility | MAY DECOMPOSE |
| Sensitive | Moisture Sensitive |
| BRN | 386032 |
| CAS DataBase Reference | 622-59-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-isothiocyanato-4-methyl-(622-59-3) |
Safety information for 4-Methylphenyl isothiocyanate
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 for 4-Methylphenyl isothiocyanate
| InChIKey | ABQKHKWXTUVKGF-UHFFFAOYSA-N |
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