Benzoic acid, 4-(chlorocarbonyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(chlorocarbonyl)-, methyl ester
CAS Number: 7377-26-6
Product Number: AG003RV1(AGN-PC-0JLTIS)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO3
Molecular Weight: 198.6031

Identification/Properties


Properties
MP:
50-59 °C
BP:
291.8 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5230 (estimate)
Solubility:
HYDROLYSIS
Computed Properties
Molecular Weight:
198.602g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
198.008g/mol
Monoisotopic Mass:
198.008g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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:
H302-H312-H314-H332
Precautionary Statements:
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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