288246-16-2
4-bromo-1H-pyrazole-3-carbonitrile
CAS: 288246-16-2
Molecular Formula: C4H2BrN3
288246-16-2 - Names and Identifiers
| Name | 4-bromo-1H-pyrazole-3-carbonitrile |
| Synonyms | BUTTPARK 4357-49 3-Cyano-4-bromopyrazole 4-Bromo-3-cyano-1H-pyrazole 4-BROMOPYRAZOLE-3-CARBONITRILE 4-bromo-1H-pyrazole-3-carbonitrile 4-bromo-1H-pyrazole-5-carbonitrile 4-BROMO-1H-PYRAZOLE-3-CARBONITRILE 4-Bromo-2H-pyrazole-3-carbonitrile 4-Bromo-1h-PypazoleE-3-carbonitrile 1H-Pyrazole-3-carbonitrile, 4-broMo- |
| CAS | 288246-16-2 |
| InChI | InChI=1/C4H2BrN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8) |
| InChIKey | ZXVFKQRZKKGVNJ-UHFFFAOYSA-N |
288246-16-2 - Physico-chemical Properties
| Molecular Formula | C4H2BrN3 |
| Molar Mass | 171.98 |
| Density | 2.01±0.1 g/cm3(Predicted) |
| Melting Point | 160 °C |
| Boling Point | 412.4±30.0 °C(Predicted) |
| Flash Point | 203.2°C |
| Vapor Presure | 5.18E-07mmHg at 25°C |
| Appearance | Crystallization |
| Color | White to pale yellow |
| pKa | 8.23±0.50(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.639 |
| MDL | MFCD00105683 |
288246-16-2 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S39 - Wear eye / face protection. |
| UN IDs | UN3439 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
288246-16-2 - Introduction
It is an organic compound with the chemical formula C4H2BrN3. Its molecular structure contains a pyrazole ring and a nitrile group, and there is a bromine atom substitution on the pyrazole ring. The compound had a white to light yellow crystalline solid form.
In chemical research and application, it has certain uses. For example, it can be used as a starting material or intermediate for the synthesis of other organic compounds. It is often used in the synthesis of heterocyclic compounds containing pyrazole structure, which have potential biological activity in the field of medicine and pesticide.
The method of synthesis is generally by chemical reaction starting from a suitable starting material. For example, using pyrazole and bromopropionitrile as starting materials, Bromination and Nitration can be carried out under appropriate reaction conditions to give the target product.
When using and handling, you need to pay attention to some safety matters. The compound may cause irritation to the skin, eyes and respiratory system, so appropriate personal protective measures should be taken during handling, such as wearing gloves, goggles and protective masks. In addition, it may also have certain environmental hazards, so it is necessary to comply with relevant environmental protection regulations when handling and disposing.
In chemical research and application, it has certain uses. For example, it can be used as a starting material or intermediate for the synthesis of other organic compounds. It is often used in the synthesis of heterocyclic compounds containing pyrazole structure, which have potential biological activity in the field of medicine and pesticide.
The method of synthesis is generally by chemical reaction starting from a suitable starting material. For example, using pyrazole and bromopropionitrile as starting materials, Bromination and Nitration can be carried out under appropriate reaction conditions to give the target product.
When using and handling, you need to pay attention to some safety matters. The compound may cause irritation to the skin, eyes and respiratory system, so appropriate personal protective measures should be taken during handling, such as wearing gloves, goggles and protective masks. In addition, it may also have certain environmental hazards, so it is necessary to comply with relevant environmental protection regulations when handling and disposing.
Last Update：2024-04-09 20:52:54
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