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Acetaldehyde 2,4-Dinitrophenylhydrazone-d3

CAT: 0572-TRC-A132702-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A132702-50MGSize:50 mg
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CAS Number
259824-51-6
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(c([2H])c(c1N\N=C\C)[N+](=O)[O-])[N+](=O)[O-]
Molecular Formula
C8 2H3 H5 N4 O4
Molecular Weight
227.19
InChI
InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+/i3D,4D,5D
Additionnal Information
IUPAC name: 2,3,5-trideuterio-N-[(E)-ethylideneamino]-4,6-dinitroaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acetaldehyde 2,4-Dinitrophenylhydrazone-d3
CAS Number259824-51-6
PubChem CID122236694
IUPAC Name2,3,5-trideuterio-N-[(E)-ethylideneamino]-4,6-dinitroaniline
Molecular FormulaC8H8N4O4
Molecular Weight227.19
XLogP0.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity295
SMILES
[2H]C1=C(C(=C(C(=C1N/N=C/C)[N+](=O)[O-])[2H])[N+](=O)[O-])[2H]
InChI
InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+/i3D,4D,5D
InChIKey
ONBOQRNOMHHDFB-BOZDYOBDSA-N
Chemical Structure
2D Structure
2D structure of Acetaldehyde 2,4-Dinitrophenylhydrazone-d3
CAS: 259824-51-6
CID: 122236694
Formula: C8H8N4O4
MW: 227.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.19
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass227.07338499
Monoisotopic Mass227.07338499
Topological Polar Surface Area116 Ų
Heavy Atom Count16
Formal Charge0
Complexity295
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-479441Acetaldehyde 2,4-Dinitrophenylhydrazone-d3
sc-214460Acetaldehyde-2,4-dinitrophenylhydrazone
AR-M03032-01Acetaldehyde 2,4-Dinitrophenylhydrazone
HY-141855S-01Acetaldehyde 2,4-Dinitrophenylhydrazone-3,5,6-d3
440784-01Acetaldehyde-13C2 2,4-Dinitrophenylhydrazone
162493Acetaldehyde-d3
1591522- (2-Methylcyclohexylidene) acetaldehyde-d3
OR1093466-012- (4-methoxyphenoxy) acetaldehyde
JCA76938-012- (4-Fluorophenoxy) acetaldehyde
OR10543342- (4-Nitrophenyl) acetaldehyde

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