5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine Structure

5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Chemical Properties

Melting point 221-225℃
Boiling point 221.0±50.0 °C(Predicted)
Density  2.15±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  solid
pka 9.43±0.20(Predicted)
color  Yellow
Water Solubility  Slightly soluble in water.
InChI InChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKey OXLMTRZWMHIZBY-UHFFFAOYSA-N
SMILES C1=NC(Cl)=C2C(Br)=CNC2=N1
CAS DataBase Reference 22276-95-5
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P310
Hazard Codes  Xn
Risk Statements  22
RIDADR  2811
WGK Germany  3
HazardClass  IRRITANT
HazardClass  6.1
PackingGroup  Ⅲ
HS Code  2933599590
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
NFPA 704:
1
3 0

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5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine Spectrum