Products for Research Use Only
RegisterLogin

Ethyl 4-Nitrobenzoate

CAT: 0572-TRC-E937558-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-E937558-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
99-77-4
Synonyms
Ethyl 4-Nitrobenzoate
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
Molecular Formula
C9 H9 N O4
Molecular Weight
195.17
InChI
InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
Additionnal Information
IUPAC name: ethyl 4-nitrobenzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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

Related Products

CatalogName
E917985Ethyl 3-Hydroxy-4-nitrobenzoate
TRC-E900080-1GEthyl 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoate
TRC-E900080-5GEthyl 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoate
TRC-E900080-250MGEthyl 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoate
TRC-M339643-100MGMethyl 4-Nitrobenzoate
TRC-M339643-50MGMethyl 4-Nitrobenzoate
TRC-N314765-25MGNorepitestosterone 4-Nitrobenzoate
TRC-M339643-500MGMethyl 4-Nitrobenzoate
TRC-E918880-250MG2-Ethylhexyl 4-Nitrobenzoate
TRC-E918880-500MG2-Ethylhexyl 4-Nitrobenzoate

Alternative Products

CatalogName
OR52185-01Ethyl 4-nitrobenzoate
HY-41464R-01Ethyl 4-nitrobenzoate (Standard)
FE67650-01Ethyl 4-amino-2-nitrobenzoate
449266-01Ethyl 4-hydrazinyl-3-nitrobenzoate
449190-01Ethyl 4- (cyclopropylamino) -3-nitrobenzoate
449186-01Ethyl 4- (butylamino) -3-nitrobenzoate
sc-269102Ethyl 4-acetamido-3-nitrobenzoate
OR24990-01Ethyl 4-chloro-3-nitrobenzoate
OR110364-01Ethyl 4-methyl-3-nitrobenzoate
OR318054-01Ethyl 4-ethoxy-3-nitrobenzoate

Popular Products