Octanoic acid, 6,8-dichloro-, ethyl ester


Chemical Name: Octanoic acid, 6,8-dichloro-, ethyl ester
CAS Number: 1070-64-0
Product Number: AG003N1K(AGN-PC-0JKBIZ)
Synonyms:
MDL No:
Molecular Formula: C10H18Cl2O2
Molecular Weight: 241.1547

Identification/Properties


Properties
BP:
288.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.462(lit.)
Computed Properties
Molecular Weight:
241.152g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
9
Exact Mass:
240.068g/mol
Monoisotopic Mass:
240.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
151
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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