4H-Pyran-4-one, 3-bromotetrahydro-


Chemical Name: 4H-Pyran-4-one, 3-bromotetrahydro-
CAS Number: 98021-79-5
Product Number: AG003J5A(AGN-PC-03ME10)
Synonyms:
MDL No: MFCD13193743
Molecular Formula: C5H7BrO2
Molecular Weight: 179.0119

Identification/Properties


Properties
BP:
226.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.013g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
177.963g/mol
Monoisotopic Mass:
177.963g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
1760
Hazard Statements:
H302-H314
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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