Products for Research Use Only
RegisterLogin

Methyl 3-methoxy-4-nitrobenzoate

CAT: 0804-HY-W014347-01Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-W014347-01Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Methyl 3-methoxy-4-nitrobenzoate is a drug intermediate for synthesis of various active compounds.
CAS Number
5081-37-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.90
Smiles
O=C(OC)C1=CC=C([N+]([O-])=O)C(OC)=C1
Molecular Formula
C9H9NO5
Molecular Weight
211.17
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Methyl 3-methoxy-4-nitrobenzoate
CAS Number5081-37-8
PubChem CID287308
IUPAC Namemethyl 3-methoxy-4-nitrobenzoate
Molecular FormulaC9H9NO5
Molecular Weight211.17
XLogP1.6
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity249
SMILES
COC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3
InChIKey
PVVFEPFLFHDHHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-methoxy-4-nitrobenzoate
CAS: 5081-37-8
CID: 287308
Formula: C9H9NO5
MW: 211.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass211.04807239
Monoisotopic Mass211.04807239
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity249
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
HY-41464-01Ethyl 4-nitrobenzoate
HY-W721210-01Methyl 3,4-bis (methoxy-d3) benzoate
HY-41464R-01Ethyl 4-nitrobenzoate (Standard)
HY-50715-013-Methoxy-4- (4-methyl-1H-imidazol-1-yl) benzaldehyde
HY-113323-013-Methoxy-4-hydroxyphenylglycol
HY-N10015-017-Methoxy-4-methyl-coumarin-8-ol
HY-W098612Methyl N- (3-methoxy-3-oxopropyl) -N-methyl-beta-alaninate
HY-1803833-Methoxy-4- (methoxymethoxy) aniline
HY-113323A3-Methoxy-4-hydroxyphenylglycol (sulfate)
HY-N18453-Methoxy-4,5-methylenedioxycinnamaldehyde

Alternative Products

CatalogName
abx185481-01Methyl 3-methoxy-4-nitrobenzoate
sc-279399Methyl 4-methoxy-3-nitrobenzoate
OR59844-01Methyl 4-methoxy-2-nitrobenzoate
OR90115-01Methyl 2-methoxy-4-nitrobenzoate
455487-01Methyl 4-Chloro-3-methoxy-5-nitrobenzoate
PC1005936-01Methyl 4-fluoro-3-methoxy-5-nitrobenzoate
OR1056774-01Methyl 3-methoxy-5-nitrobenzoate
OR912665-01Methyl 2-methoxy-3-nitrobenzoate
LIC70626-01Methyl 4- (benzyloxy) -3-methoxy-2-nitrobenzoate
PC100637-01Methyl 3-fluoro-5-methoxy-4-nitrobenzoate

Popular Products