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7-Nitroindazole Structure

7-Nitroindazole

Chemical Properties

Melting point 185-186°C
Boiling point 290.19°C (rough estimate)
Density  1.4141 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  -20°C
solubility  Soluble to 100 mM in DMSO and to 20 mM in ethanol
pka 10.03±0.40(Predicted)
form  powder to crystal
color  Light yellow to Brown
Water Solubility  slightly soluble
BRN  6809
InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKey PQCAUHUKTBHUSA-UHFFFAOYSA-N
SMILES N1C2=C(C=CC=C2[N+]([O-])=O)C=N1
CAS DataBase Reference 2942-42-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII UX0N37CMVH
NIST Chemistry Reference 7-Nitroindazole(2942-42-9)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H301-H319-H351-H360
Precautionary statements P201-P301+P310+P330-P305+P351+P338
Hazard Codes  T
Risk Statements  60-40
Safety Statements  53-22-36/37/39-45
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  NK7962200
HazardClass  IRRITANT
PackingGroup 
HS Code  29339900
NFPA 704:
1
2 0

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