Propanedioic acid, bromo-, diethyl ester


Chemical Name: Propanedioic acid, bromo-, diethyl ester
CAS Number: 685-87-0
Product Number: AG006IC8(AGN-PC-0JL95P)
Synonyms:
MDL No:
Molecular Formula: C7H11BrO4
Molecular Weight: 239.0638

Identification/Properties


Properties
MP:
-54°C
BP:
233.999 °C at 76 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Lachrymatory
Refractive Index:
n20/D 1.451(lit.)
Computed Properties
Molecular Weight:
239.065g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
237.984g/mol
Monoisotopic Mass:
237.984g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
151
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#:
3265
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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