3-Nitrophthalic Acid


Chemical Name: 3-Nitrophthalic Acid
CAS Number: 603-11-2
Product Number: AG003JTS(AGN-PC-0WA8WM)
Synonyms:
MDL No:
Molecular Formula: C8H5NO6
Molecular Weight: 211.1284

Identification/Properties


Properties
MP:
210 °C (dec.)(lit.)
BP:
441.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5282 (estimate)
Solubility:
water: soluble5%, clear to slightly hazy, colorless to faint yellow or tan
Computed Properties
Molecular Weight:
211.129g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
211.012g/mol
Monoisotopic Mass:
211.012g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
296
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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