Benzoic acid, 2,4-dichloro-, methyl ester


Chemical Name: Benzoic acid, 2,4-dichloro-, methyl ester
CAS Number: 35112-28-8
Product Number: AG003S38(AGN-PC-0JKPFH)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O2
Molecular Weight: 205.0380

Identification/Properties


Properties
MP:
154-155℃
BP:
255.9°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.557(lit.)
Computed Properties
Molecular Weight:
205.034g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
203.974g/mol
Monoisotopic Mass:
203.974g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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#:
N/A
Hazard Statements:
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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