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5-Bromonicotinic acid

5-Bromonicotinic acid ??? ???
?? ??:
20826-04-4
???:
5-Bromonicotinic acid
???(??):
5-BROMOPYRIDINE-3-CARBOXYLIC ACID;Nicergoline impurity D CRS;5-BROMO-3-PYRIDINECARBOXYLIC ACID;DF97;AURORA KA-3027;CAS:20826-04-4;AKOS BBS-00007710;5 - broMine niacin;TIMTEC-BB SBB003524;RARECHEM AL BO 0841
CBNumber:
CB3375701
???:
C6H4BrNO2
??? ??:
202.01
MOL ??:
20826-04-4.mol
MSDS ??:
SDS

5-Bromonicotinic acid ??

???
178-180 °C(lit.)
?? ?
259.67°C (rough estimate)
??
1.7477 (rough estimate)
???
0.01Pa at 25℃
???
1.6120 (estimate)
?? ??
2-8°C
???
DMSO(?? ???), ???(?? ???)
?? ?? (pKa)
3.08±0.10(Predicted)
??? ??
??
??
??~??? ?? ?? ??
BRN
115854
InChI
InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
InChIKey
FQIUCPGDKPXSLL-UHFFFAOYSA-N
SMILES
C1=NC=C(Br)C=C1C(O)=O
LogP
1.17-1.29 at 23.5℃ and pH6.4
CAS ??????
20826-04-4(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 36/37/38
????? 26-36-24/25
WGK ?? 3
RTECS ?? QT0868000
?? ?? IRRITANT
HS ?? 29333999
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P405 ???? ?????.
NFPA 704
0
2 0

5-Bromonicotinic acid MSDS


5-Bromonicotinic acid

5-Bromonicotinic acid C??? ??, ??, ??

??? ??

Light yellow Cryst

??

5-Bromopyridine-3-carboxylic acid (5-bromonicotinic acid) was used in the synthesis of 3-guanidinomethyl-5-iodopyridine.

?? ??

5-Bromonicotinic acid could used as starting material to synthesize 3-guanidinomethyl-5-iodopyridine. It is also used to prepare four novel multifunctional coordination compounds with different lanthanide(III) ions (Dy, Tb, Yb, and Nd). These materials possess different structures and dimensionalities and show interesting magnetic and luminescence properties, as well as a complete absence of cytotoxicity both in cancer and non-cancer Caco-2 cells[1-2].

Purification Methods

The acid is recrystallised from H2O and then from EtOH using charcoal. The amide has m 219-219.5o (from aqueous EtOH), and the methyl ester, prepared by addition of ethereal diazomethane, can be purified by sublimation in a vacuum and has m 98-99o. The acid chloride also can be sublimed in vacuo and has m 74-75o and gives the methyl ester in MeOH. [Graf J Prakt Chem 138 244 1933, Bachman & Micucci J Am Chem Soc 70 2381 1948, Garcia et al. J Am Chem Soc 82 4430 1960, Misic-Vokovic et al. J Chem Soc 34 1978, Beilstein 22/2 V 181.]

5-Bromonicotinic acid ?? ?? ? ???

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5-Bromonicotinic acid ?? ??

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