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Dibenzyl Azodicarboxylate

CAT: 0572-TRC-D417215-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D417215-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2449-05-0
Synonyms
Diazenedicarboxylic Acid Bis(phenylmethyl) Ester; Azodi-Formic Acid Dibenzyl Ester ; Dibenzyl Azodicarboxylate; NSC 620564
Hazard Statement
Flammable solid; UN number: UN1325; Packing Group: III
Smiles
O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2
Molecular Formula
C16H14N2O4
Molecular Weight
298.29
Shipping Conditions
Room Temperature

Chemical Information

1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
CAS Number2449-05-0
PubChem CID75557
IUPAC Namebenzyl N-phenylmethoxycarbonyliminocarbamate
Molecular FormulaC16H14N2O4
Molecular Weight298.29
XLogP3.9
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
IRJKSAIGIYODAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
CAS: 2449-05-0
CID: 75557
Formula: C16H14N2O4
MW: 298.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.29
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass298.09535693
Monoisotopic Mass298.09535693
Topological Polar Surface Area77.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RG-A262089-01Dibenzyl Azodicarboxylate
T31445-01Diethyl azodicarboxylate
AR-A04750-01Diisopropyl Azodicarboxylate
009443Diethyl Azodicarboxylate discontinued
OR0923-01Bis (isopropyl) azodicarboxylate
sc-252674Di-tert-butyl azodicarboxylate
D21100Diethyl azodicarboxylate 40% in Toluene

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