3-Nitro-4-phenoxy-5-sulfaMoylbenzoic Acid Structure

3-Nitro-4-phenoxy-5-sulfaMoylbenzoic Acid

Chemical Properties

Melting point 251-253°C (dec.)
Boiling point 547.6±60.0 °C(Predicted)
Density  1.585±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
pka 3.13±0.10(Predicted)
color  Light Brown to Yellow
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C13H10N2O7S/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)
InChIKey NXJUSSNAIUIVKY-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC([N+]([O-])=O)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1
FDA UNII P531HR643J
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H319-H335-H315
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
WGK Germany  WGK 3
HS Code  2935909550
Storage Class 11 - Combustible Solids

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