3-Iodo-4-methylbenzoic Acid


Chemical Name: 3-Iodo-4-methylbenzoic Acid
CAS Number: 82998-57-0
Product Number: AG003JLC(AGN-PC-0WA8QY)
Synonyms:
MDL No:
Molecular Formula: C8H7IO2
Molecular Weight: 262.0444

Identification/Properties


Properties
MP:
210-212 °C(lit.)
BP:
355.2 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
262.046g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
261.949g/mol
Monoisotopic Mass:
261.949g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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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