Benzoic acid, 2,5-dichloro-


Chemical Name: Benzoic acid, 2,5-dichloro-
CAS Number: 50-79-3
Product Number: AG003306(AGN-PC-0JK7DD)
Synonyms:
MDL No:
Molecular Formula: C7H4Cl2O2
Molecular Weight: 191.0115

Identification/Properties


Properties
MP:
151-154 °C(lit.)
BP:
301°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4590 (estimate)
Solubility:
0.8g/l
Computed Properties
Molecular Weight:
191.007g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
189.959g/mol
Monoisotopic Mass:
189.959g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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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