Benzonitrile, o-bromo-
2-Bromobenzonitrile
CAS: 2042-37-7
Molecular Formula: C7H4BrN
Benzonitrile, o-bromo- - Names and Identifiers
| Name | 2-Bromobenzonitrile |
| Synonyms | OBBN 2-Bromo O BroMoxynil 2-of broMoxynil 2-Brombenzonitril 2-bromo-benzonitril TIMTEC-BB SBB008569 2-Bromobenzonitrile o-bromocyanobenzene o-bromo-benzonitril o-Bromobenzonitrile 2-cyanobromobenzene BROMOBENZONITRILE(2-) Benzonitrile, o-bromo- o-Bromobenzonitrile 2-Bromobenzonitrile |
| CAS | 2042-37-7 |
| EINECS | 218-045-1 |
| InChI | InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | AFMPMSCZPVNPEM-UHFFFAOYSA-N |
Benzonitrile, o-bromo- - Physico-chemical Properties
| Molecular Formula | C7H4BrN |
| Molar Mass | 182.02 |
| Density | 1.496 |
| Melting Point | 53-57°C(lit.) |
| Boling Point | 251-253°C(lit.) |
| Flash Point | >230°F |
| Solubility | 10.5g/l |
| Vapor Presure | 0.0198mmHg at 25°C |
| Appearance | Bright yellow crystal |
| Color | White to yellow |
| BRN | 2042185 |
| PH | 6.6 (10.5g/l, H2O, 23℃) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5999 (estimate) |
| MDL | MFCD00001772 |
| Physical and Chemical Properties | Pure colorless solid, melting point 194-195 °c. Solubility (25 ° C): 130mg/L in water, 170g/L in acetone, 90g/L in methanol, <20g/L in oil. |
| Use | Used as an intermediate in organic synthesis |
Benzonitrile, o-bromo- - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | 3276 |
| WGK Germany | 2 |
| RTECS | DI2459750 |
| HS Code | 29269095 |
| Hazard Note | Harmful/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
Benzonitrile, o-bromo- - Introduction
Solubility (25 ℃): 130mg/L in water, 170g/L in acetone, 90g/L in methanol and <20g/L in petroleum.
Last Update：2022-10-16 17:14:49
Benzonitrile, o-bromo- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | 2-bromobenzonitrile is a nitrile compound. 2-Bromobenzonitrile is widely used in the production of dyes, pesticides, herbicides, etc. It is an important chemical raw material. At the same time, because the cyano group can be converted into other groups under mild conditions, such as carboxyl, amino, etc., nitrile compounds are often used as intermediates in drug synthesis. 2-Bromobenzonitrile is an organic intermediate, which can be prepared by o-bromobenzyl alcohol or o-bromobenzaldehyde in one step. Add 0.4 millimoles of o-bromostyrene, 2 millimoles of sodium nitrite, 5 milligrams of metallic iron (Ⅲ) porphyrin, and 4.5 milliliters of acetonitrile solvent to the reaction tube. Under air atmosphere, heat and stir at 70°C. Add 0.5 milliliters of formic acid drop by drop within the first 0.5 hours. After 4 hours of reaction, stop heating and stirring, cool to room temperature, obtain a crude product by a rotary evaporator, and then separate and purify by column chromatography to obtain the target product, the column chromatography eluate used was a mixed solvent of petroleum ether and ethyl acetate. The compound is a white solid with a yield of 78.49%. Bromobenzonitrile and its salts and esters are contact-killing herbicides with a certain systemic activity. They are mainly used in cereals, flax, garlic, corn, onions, sorghum and newly sown turf. After bud, prevent weeding and seedling broad-leaved weeds. Mixing with other herbicides can expand the weeding spectrum. Bromobenzonitrile and its salts and esters are contact-killing herbicides with a certain systemic activity. They are mainly used in cereals, flax, garlic, corn, onions, sorghum and newly sown turf. After bud, prevent weeding and seedling broad-leaved weeds. Mixing with other herbicides can expand the weeding spectrum. Used as an intermediate in organic synthesis |
| production method | can be produced using urea and dibromoaldehyde as raw materials, and also using p-hydroxybenzaldehyde and p-hydroxybenzoic acid as raw materials. |
Last Update：2024-04-09 15:16:48
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