1,3-Benzodioxole


Chemical Name: 1,3-Benzodioxole
CAS Number: 274-09-9
Product Number: AG00I56Z(AGN-PC-00PNUI)
Synonyms:
MDL No:
Molecular Formula: C7H6O2
Molecular Weight: 122.1213

Identification/Properties


Properties
MP:
-18°C
BP:
173°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.539(lit.)
Solubility:
2g/l
Computed Properties
Molecular Weight:
122.123g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
122.037g/mol
Monoisotopic Mass:
122.037g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
91.1
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#:
-
Hazard Statements:
H302+H332
Precautionary Statements:
P261-P271
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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