HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid
4-Iodo-1-methylpyrazole-5-carboxylic Acid · 4-iodo-2-methylpyrazole-3-carboxylic acid · 4-Iodo-1-methylpyrazole-5-carboxylicAcid>4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID · 4-Iodo--1-methyl-1H-pyrazol-5-carboxylic acid · 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl- · 4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacid98% · 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid 98% · 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
Identifiers & Physical Properties
| CAS No. | 75092-30-7 |
|---|---|
| Molecular formula | C5H5IN2O2 |
| Average molar mass | 252.01 g/mol |
| Monoisotopic mass | 251.9395754 g/mol |
| SMILES | Cn1ncc(I)c1C(=O)O |
| InChIKey | SZRMOKQNOJYMNK-UHFFFAOYSA-N |
| PubChem CID | 673687 |
| EC No. | 640-130-0 |
| DTXSID | DTXSID60350098 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 153 |
| Melting point | 242°C(lit.) |
| Boiling point | 362.2±27.0 °C(Predicted) |
| Density | 2.26±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C(protect from light) |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 1.76±0.37(Predicted) |
| Color | White to Almost white |
| CAS DataBase Reference | 75092-30-7 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P271-P280 |
| Hazard class | IRRITANT |
| Customs code | 2933199090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2933199090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P271-P280 |
Applications & Uses
Uses
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid is a carboxylic acid derivative that can be used as a pharmaceutical intermediate.