28328-53-2

Name 3-Nitro-4-phenoxy-5-sulfaMoylbenzoic Acid
CAS 28328-53-2
EINECS(EC#) 248-970-6
Molecular Formula C13H10N2O7S
Molecular Weight 338.29
MOL File 28328-53-2.mol
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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)
form  neat
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

Safety Data

WGK Germany  WGK 3
REACH Registrations Active
HS Code  2935909550
Storage Class 11 - Combustible Solids

Hazard Information

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