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CAS Number: 6311-60-0
1,3-dibromo-5-nitrobenzene

Structure

1,3-dibromo-5-nitrobenzene
Name: 1,3-dibromo-5-nitrobenzene
Synonyms:
General Information
Product Number: 6311600

CAS Registry Number 6311-60-0
Name:
Benzene, 1,?3-?dibromo-?5-?nitro-
1,3-Dibromo-5-nitrobenzene
3,5-Dibromo-1-nitrobenzene
3,5-Dibromonitrobenzene
NSC 43228

 

Chemical Formula: C6H3Br2NO2
Exact Mass: 278.85
Molecular Weight: 280.90
m/z: 280.85 (100.0%), 278.85 (51.4%), 282.85 (48.7%), 281.85 (6.9%), 279.86 (3.4%), 283.85 (3.4%)

 

InChI:InChI=1S/C6H3Br2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

InChI Key:ZWBHGBWABMAWOV-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1Br)Br)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 106.9-108.4 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 106 °C   (4)CAS
Melting Point 106 °C   (5)CAS
Melting Point 106 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 105-106 °C   (7)CAS
Melting Point 105-105.5 °C   (8)CAS

Specification

98%

References
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  5. (7) Bunnett, J. F.; Journal of the American Chemical Society 1954, V76, P5755-61 CAPLUS
  6. (8) Qvist, Walter; Acta Acad. Aboensis, Math. et Phys. 1960, V21(No. 18), P14 pp. CAPLUS
  7. (9) Korner, G.; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti 1914, V22(I), P823-36 CAPLUS
  8. (10) Kubiczak, Gerhard A.; Journal of Agricultural and Food Chemistry 1989, V37(4), P1160-4 CAPLUS
  9. (11) Carlin, Robert B.; Journal of the American Chemical Society 1955, V77, P966-73 CAPLUS
  10. (12) Wautelet, Pascale; Journal of Organic Chemistry 2003, V68(21), P8025-8036 CAPLUS
  11. (13) Korner, G.; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti 1909, V17(5;I), P465-80 CAPLUS
  12. (14) Carlin, Robert B.; Journal of the American Chemical Society 1950, V72, P793-801 CAPLUS
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