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100-12-9

100-12-9 structural image
Product Name: ETHYL 4-NITROBENZOATE
Formula: C8H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear yellow liquid; [Sigma-Aldrich MSDS]
Vapor Pressure 0.02 [mmHg]
Kovats Retention Index 1393
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H402:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 151.16 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 151.063328530 g/mol
Monoisotopic Mass 151.063328530 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 134
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