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Ethyl 4-nitrobenzoate

CAT: 0804-HY-41464-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-41464-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl 4-nitrobenzoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
CAS Number
99-77-4
Product Name Alternative
Ethyl 4-nitrobenzoate
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ethyl-4-nitrobenzoate.html
Purity
99.91
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(OCC)C1=CC=C([N+]([O-])=O)C=C1
Molecular Formula
C9H9NO4
Molecular Weight
195.17
Precautions
H302, H315, H319, H335
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Ethyl 4-nitrobenzoate
CAS Number99-77-4
PubChem CID7457
IUPAC Nameethyl 4-nitrobenzoate
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP2.3
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChIKey
PHWSCBWNPZDYRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-nitrobenzoate
CAS: 99-77-4
CID: 7457
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area72.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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