2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-


Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-
CAS Number: 137-18-8
Product Number: AG0012OG(AGN-PC-00GT3F)
Synonyms:
MDL No:
Molecular Formula: C8H8O2
Molecular Weight: 136.1479

Identification/Properties


Properties
MP:
123-125 °C
BP:
200.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Solubility:
toluene: soluble0.5g/10 mL, clear to faintly turbid, yellow to brown
Computed Properties
Molecular Weight:
136.15g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
136.052g/mol
Monoisotopic Mass:
136.052g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
228
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:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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