3167-49-5

Name 6-Aminonicotinic acid
CAS 3167-49-5
EINECS(EC#) 221-630-4
Molecular Formula C6H6N2O2
MDL Number MFCD00006326
Molecular Weight 138.12
MOL File 3167-49-5.mol

Chemical Properties

Appearance Light yellow Cryst
Melting point  >300 °C (lit.)
Boiling point  253.51°C (rough estimate)
density  1.3471 (rough estimate)
refractive index  1.5100 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  Powder
pka 2.86±0.10(Predicted)
color  White to beige
Water Solubility  ca 1.0 g/L (20 ºC)
Usage Antiproliferative
Detection Methods HPLC,NMR
Merck  14,456
BRN  115992
InChI InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey ZCIFWRHIEBXBOY-UHFFFAOYSA-N
SMILES C1=NC(N)=CC=C1C(O)=O
CAS DataBase Reference 3167-49-5(CAS DataBase Reference)
NIST Chemistry Reference Nicotinic acid, 6-amino-(3167-49-5)
EPA Substance Registry System 3167-49-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,T
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
Hazard Note  Irritant
TSCA  T
HazardClass  IRRITANT
HS Code  29333990
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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