42872-74-2
3-bromo-4-methylbenzonitrile
CAS: 42872-74-2
Molecular Formula: C8H6BrN
42872-74-2 - Names and Identifiers
| Name | 3-bromo-4-methylbenzonitrile |
| Synonyms | Bromo-4-methyl-benzonitrile 3-bromo-4-methylbenzonitrile 4-methyl-3-bromobenzonitrile 3-Bromo-4-methylbenzonitrile Benzonitrile, 3-bromo-4-methyl- benzonitrile, 3-bromo-4-methyl- 3-BROMO-4-METHYLBENZONITRILE 97 2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile |
| CAS | 42872-74-2 |
| InChI | InChI=1/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| InChIKey | VXUMRYMTYKDWMO-UHFFFAOYSA-N |
42872-74-2 - Physico-chemical Properties
| Molecular Formula | C8H6BrN |
| Molar Mass | 196.04 |
| Density | 1.51±0.1 g/cm3(Predicted) |
| Melting Point | 41-45 °C (lit.) |
| Boling Point | 259.1±20.0 °C(Predicted) |
| Flash Point | >230°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.013mmHg at 25°C |
| Appearance | Yellow crystal |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.591 |
| MDL | MFCD06797818 |
42872-74-2 - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36 - Wear suitable protective clothing. |
| UN IDs | UN3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| Hazard Class | 6.1 |
| Packing Group | III |
42872-74-2 - Introduction
It is an organic compound with the chemical formula C8H6BrN. It is a white solid with a special smell.
It is often used as an important intermediate in organic synthesis. It can be used to synthesize drugs, pesticides, dyes and chemical reagents. For example, it can be used in the synthesis of antibiotics and anticancer drugs. In addition, it can also be used as a raw material for organic light emitting materials and ionic liquids.
There are many preparation methods for
, and one commonly used method is to react p-tolylboronic acid with brominylformamide. The specific preparation operation needs to be adjusted and optimized according to the actual situation.
When using and handling, you need to pay attention to its safety information. It is an organic compound with certain toxicity and irritation, and direct contact with skin, eyes and respiratory tract should be avoided. Wear protective equipment such as gloves, goggles and face shields during operation. At the same time, work in a well-ventilated place to avoid dust and steam. If aspiration or ingestion occurs, seek medical attention immediately.
It is often used as an important intermediate in organic synthesis. It can be used to synthesize drugs, pesticides, dyes and chemical reagents. For example, it can be used in the synthesis of antibiotics and anticancer drugs. In addition, it can also be used as a raw material for organic light emitting materials and ionic liquids.
There are many preparation methods for
, and one commonly used method is to react p-tolylboronic acid with brominylformamide. The specific preparation operation needs to be adjusted and optimized according to the actual situation.
When using and handling, you need to pay attention to its safety information. It is an organic compound with certain toxicity and irritation, and direct contact with skin, eyes and respiratory tract should be avoided. Wear protective equipment such as gloves, goggles and face shields during operation. At the same time, work in a well-ventilated place to avoid dust and steam. If aspiration or ingestion occurs, seek medical attention immediately.
Last Update：2024-04-09 21:11:58
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