5-Chloromethyl-2H-1,2,4-triazolin-3-one
- CAS NO.：252742-72-6
- Empirical Formula: C3H4ClN3O
- Molecular Weight: 133.54
- MDL number: MFCD07776630
- EINECS: 607-678-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-24 18:13:46
What is 5-Chloromethyl-2H-1,2,4-triazolin-3-one?
Chemical properties
White to Almost white powder to crystal
The Uses of 5-Chloromethyl-2H-1,2,4-triazolin-3-one
5-Chloromethyl-2H-1,2,4-triazolin-3-one is an intermediate used in the synthesis of Aprepitant (A729800) and Fosaprepitant, used as antiemetic drugs.
What are the applications of Application
3-Chloromethyl-1,2,4-triazolin-5-one is an intermediate in organic synthesis and pharmaceutical intermediate, which can be used in laboratory R&D synthesis process and chemical biological R&D process.
Hazard
5-Chloromethyl-2H-1,2,4-triazolin-3-one is a hazardous chemical that is corrosive to metals, irritating to the eyes and skin, and may cause respiratory irritation.
Properties of 5-Chloromethyl-2H-1,2,4-triazolin-3-one
| Melting point: | 199°C(lit.) |
| Density | 1.83±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 7.46±0.20(Predicted) |
| color | White to Almost white |
| CAS DataBase Reference | 252742-72-6 |
Safety information for 5-Chloromethyl-2H-1,2,4-triazolin-3-one
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. |
Computed Descriptors for 5-Chloromethyl-2H-1,2,4-triazolin-3-one
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