| Identification | Back Directory | [Name]
2,3-BIS(BROMOMETHYL)QUINOXALINE | [CAS]
3138-86-1 | [Synonyms]
NSC 38602
2,3-BIS-(BROMETHYL)QUINOXALINE
2,3-bis(bromomethyl)-quinoxalin
2,3-BIS(BROMOMETHYL)QUINOXALINE
2,3-BIS-(BROMETHYL)-QUINOXALINE98%
2,3-Bis(bromomethyl)quinoxaline,98%
2,3-Bis(bromomethyl)-1,4-benzodiazine
2,3-Bis-(bromomethyl)quinoxaline, HPLC 98% | [EINECS(EC#)]
221-538-4 | [Molecular Formula]
C10H8Br2N2 | [MDL Number]
MFCD00006729 | [MOL File]
3138-86-1.mol | [Molecular Weight]
315.99 |
| Chemical Properties | Back Directory | [Appearance]
grey to beige-brown crystalline powder | [Melting point ]
152-156 °C(lit.)
| [Boiling point ]
345.7±37.0 °C(Predicted) | [density ]
1.7904 (rough estimate) | [refractive index ]
1.7040 (estimate) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder | [pka]
-1.31±0.48(Predicted) | [InChI]
1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2 | [InChIKey]
LHKFFORGJVELPC-UHFFFAOYSA-N | [SMILES]
BrCc1nc2ccccc2nc1CBr | [EPA Substance Registry System]
Quinoxaline, 2,3-bis(bromomethyl)- (3138-86-1) |
| Hazard Information | Back Directory | [Chemical Properties]
grey to beige-brown crystalline powder | [Safety Profile]
Poison by intravenous route. Seealso BROMIDES. When heated to decomposition it emitsvery toxic fumes of Br- and NOx. | [Synthesis]
The general procedure for the synthesis of 2,3-bis(bromomethyl)quinoxaline from o-phenylenediamine and 1,4-dibromo-2,3-butanedione was as follows: 6.52 g (27 mmol) of 1,4-dibromo-2,3-butanedione and 300 mL of ethanol were added to a 1,000 mL three-neck flask. Subsequently, a solution made from 2.94 g (27 mmol) of o-phenylenediamine dissolved in 150 mL of ethanol was added to the mixture with continuous stirring for 30 minutes at room temperature. White solid precipitation was observed during the reaction. To the reaction mixture, 200 mL of water was added and the white solid was collected by filtration and dried under reduced pressure to give 6.74 g (yield: 81%) of the target product 2,3-bis(bromomethyl)quinoxaline. The 1H nuclear magnetic resonance (1H-NMR) spectral data of the compound were as follows: 1H-NMR (CDCl3): δ 4.93 (s, 4H), 7.81 (q, 2H), 8.08 (q, 2H). | [References]
[1] Tetrahedron, 2013, vol. 69, # 4, p. 1403 - 1416
[2] Journal of Organic Chemistry, 2005, vol. 70, # 13, p. 5055 - 5061
[3] Organometallics, 2013, vol. 32, # 12, p. 3493 - 3501
[4] Synthetic Communications, 2011, vol. 41, # 3, p. 417 - 425
[5] Journal of Chemical Crystallography, 2006, vol. 36, # 3, p. 211 - 215 |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
34-36/37 | [Safety Statements ]
26-27-28-36/37/39-45 | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
VD1420000
| [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B
STOT SE 3 | [Toxicity]
LD50 ivn-mus: 18 mg/kg CSLNX* NX#02400 |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
Grader reagent
|
| Telephone: |
18221735425 |
| Website: |
www.shxinping.net |
|