Acetic acid, bromofluoro-, ethyl ester


Chemical Name: Acetic acid, bromofluoro-, ethyl ester
CAS Number: 401-55-8
Product Number: AG0034VX(AGN-PC-0JU5ZO)
Synonyms:
MDL No:
Molecular Formula: C4H6BrFO2
Molecular Weight: 184.9916

Identification/Properties


Properties
BP:
154°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.424(lit.)
Computed Properties
Molecular Weight:
184.992g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
183.954g/mol
Monoisotopic Mass:
183.954g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
86.1
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#:
2810
Hazard Statements:
H301+H311+H331-H315-H319-H341-H227
Precautionary Statements:
P501-P261-P270-P202-P210-P201-P271-P264-P280-P370+P378-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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