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5-Bromonicotinic acid Structure

5-Bromonicotinic acid

Chemical Properties

Melting point 178-180 °C(lit.)
Boiling point 259.67°C (rough estimate)
Density  1.7477 (rough estimate)
vapor pressure  0.01Pa at 25℃
refractive index  1.6120 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
pka 3.08±0.10(Predicted)
form  Powder
color  White to yellow-gray or light brown
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 DataBase Reference 20826-04-4(CAS DataBase Reference)
FDA UNII ZDB972TSH7

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338-P261-P280a-P304+P340-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-24/25
WGK Germany  3
RTECS  QT0868000
HazardClass  IRRITANT
HS Code  29333999
NFPA 704:
0
2 0

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