TIMTEC-BB SBB005796
3-Bromobenzylamine
CAS: 10269-01-9
Molecular Formula: C7H8BrN
TIMTEC-BB SBB005796 - Names and Identifiers
| Name | 3-Bromobenzylamine |
| Synonyms | 3-BROMOBENZYLAMINE 3-Bromobenzylamine RARECHEM AL BW 0018 TIMTEC-BB SBB005796 RARECHEM AL BW 0018 TIMTEC-BB SBB005796 3-Bromobenzenemethanamine (3-Bromophenyl)methylamine 1-(3-Bromophenyl)methanamine |
| CAS | 10269-01-9 |
| InChI | InChI=1/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | SUYJXERPRICYRX-UHFFFAOYSA-N |
TIMTEC-BB SBB005796 - Physico-chemical Properties
| Molecular Formula | C7H8BrN |
| Molar Mass | 186.05 |
| Density | 1.48g/ml |
| Boling Point | 245°C(lit.) |
| Flash Point | 104.3°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.0303mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| pKa | 8.77±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Sensitive | Air Sensitive |
| Refractive Index | 1.584-1.586 |
TIMTEC-BB SBB005796 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 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 | UN2735 |
| HS Code | 29214900 |
| Hazard Class | 8 |
| Packing Group | III |
TIMTEC-BB SBB005796 - Reference Information
| pharmacological activity | 3-bromobenzylamine is a kind of benzylamine compound, which is a kind of small molecule compound with simple structure. It widely exists in the biological world and has extremely important physiological and pharmacological activities. It is widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have benzylamine structures. |
| preparation | adding m-bromobenzyl azide (5mmol,1.06g), solvent chloroform (25mL), argon protection, adding boron tribromide (18mmol,4.50g) dichloromethane solution (25mL) dropwise at 2 ℃, dropping, reacting at 45 ℃ for 14h, after the reaction, ethanol (25mL) was added to quench for 0.5h, the reaction solution was clarified, the reaction solution was directly swirled and concentrated, and then recrystallized with methanol/ether to obtain a white target product with a yield of 84%(0.781g). Melting point: 252-254 ℃;1HNMR(500MHz,CDCl3)δ7.45(s,1H),7.38(d,J = 8.0,1H),7.23(d,J = 7.5,1H),7.16(t,J = 7.5,1H),3.80(s,2H),2.85(bs,2H);13CNMR(125MHz,CDCl3)δ144.0, 130.2,126.1,122.7,45.3;HRMS(ESI)calcdforC7H8BrN[M H] :184.98401;found: 184.98389. |
Last Update：2024-04-09 20:52:54
