NSC 3996
6-bromoquinoline
CAS: 5332-25-2
Molecular Formula: C9H6BrN
NSC 3996 - Names and Identifiers
| Name | 6-bromoquinoline |
| Synonyms | NSC 3996 6-Br-quinoline 6-bromoquinoline 6-BROMOQUINOLINE 6-bromo-quinolin 6-BROMOOQUINOLINE Quinoline, 6-bromo- TIMTEC-BB SBB001559 6-Bromo-1-azanaphthalene |
| CAS | 5332-25-2 |
| EINECS | 226-238-7 |
| InChI | InChI=1/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H |
| InChIKey | IFIHYLCUKYCKRH-UHFFFAOYSA-N |
NSC 3996 - Physico-chemical Properties
| Molecular Formula | C9H6BrN |
| Molar Mass | 208.05 |
| Density | 1.538 g/mL at 25 °C |
| Melting Point | 19°C |
| Boling Point | 116 °C / 6mmHg |
| Flash Point | 19 °C |
| Solubility | Soluble in acetone, acetonitrile, dichloromethane, ethyl acetate and THF. |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Oil |
| Color | Thick |
| pKa | 4.18±0.10(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | n20/D 1.663 |
NSC 3996 - Risk and Safety
| Risk Codes | 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 R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S39 - Wear eye / face protection. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29334900 |
| Hazard Class | IRRITANT |
NSC 3996 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | 6-bromoquinoline is a compound that can be used in organic synthesis. |
| Bromoquinoline | There are seven positional isomers, and the list of their main physical properties is as follows: ▼ ▲ Name Melting Point (℃) Boiling Point (℃) Soluble 2-bromoquinoline 48~49 Soluble in diethyl ether, chloroform, benzene 3-bromoquinoline 12~15274~276, 95(66.66Pa)4-bromoquinoline 29~30270 (Decomposition) Soluble in dilute acid 5-bromoquinoline 52 (needle crystal) 280 6-bromoquinoline 242787-bromoquinoline 52 (needle crystal) 2908-bromoquinoline 80165~166(2399.79Pa) |
| Use and preparation method | 3-bromoquinoline reacts with mixed acid to generate 3-bromo-5-nitroquinoline, which is oxidized to 5-bromo-2, 3-pyridinedicarboxylic acid when heated with potassium permanganate. 6-bromoquinoline and nitric acid are heated to form 6-bromo-8-nitroquinoline, which is oxidized to 2, 3-pyridinedicarboxylic acid when interacting with potassium permanganate. 2-bromoquinoline is prepared by the reaction of 2-hydroxyquinoline and phosphorus pentabromide. 3-bromoquinoline was prepared by heating quinoline perbromide at 180 ℃. 4-bromoquinoline is prepared by heating 4-hydroxyquinoline with phosphorus pentabromide, or by diazotization reaction of 4-aminoquinoline. 5-bromoquinoline is heated by m-bromoaniline, glycerol, m-bromonitrobenzene and concentrated sulfuric acid, or is produced by 5-aminoquinoline through diazotization reaction. 6-bromoquinoline is prepared by heating p-bromoaniline with glycerol, concentrated sulfuric acid, and p-bromonitrobenzene. 7-bromoquinoline was prepared by diazotization of 7-aminoquinoline. 8-Bromoquinoline is prepared by heating o-bromoaniline, glycerol, concentrated sulfuric acid and o-bromonitrobenzene. Purpose: As an organic synthesis reagent. |
Last Update：2024-04-10 22:29:15
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