2-Fluoroadenine Structure

2-Fluoroadenine

Chemical Properties

Melting point >350 °C(lit.)
Boiling point 239.6±50.0 °C(Predicted)
Density  2.05±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Sparingly, Sonicated, Heated), Methanol (Slightly, Heated)
form  Solid
pka 6.84±0.20(Predicted)
color  White to Light Yellow
InChI InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey WKMPTBDYDNUJLF-UHFFFAOYSA-N
SMILES N1C2C(=NC(F)=NC=2N)NC=1
CAS DataBase Reference 700-49-2(CAS DataBase Reference)
FDA UNII 2C8H3H4EBG
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-22
Safety Statements  26-36
WGK Germany  3
RTECS  AU6264700
Hazard Note  Irritant
HazardClass  IRRITANT, IRRITANT-HARMFUL
HS Code  29335990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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2-Fluoroadenine Spectrum