Name: Dibenzyl azodicarboxylate
SKU: 2449-05-0

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Basic Information

Molecular Structure:
CAS No.:	2449-05-0
Name:	Dibenzyl azodicarboxylate
Article Data:	8

Formula:	C₁₆H₁₄N₂O₄
Molecular Weight:	298.298
Synonyms:	Diazenedicarboxylicacid, bis(phenylmethyl) ester (9CI);Formic acid, azodi-, dibenzyl ester(6CI,7CI,8CI);Dibenzyl azodicarboxylate;NSC 620564;
EINECS:	219-508-0
Density:	1.19 g/cm³
Melting Point:	43-47 °C(lit.)
Boiling Point:	456.8 °C at 760 mmHg
Flash Point:	203 °C
Appearance:	Yellow to orange crystalline powder
Hazard Symbols:	Xi; F
Risk Codes:	36/37/38-11
Safety:	26-37/39-16
PSA:	77.32000
LogP:	4.11220

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Specification

The Dibenzyl azodicarboxylate, with the CAS registry number 2449-05-0 and EINECS registry number 219-508-0, has the systematic name of dibenzyl diazene-1,2-dicarboxylate. It is a kind of yellow to orange crystalline powder, and belongs to the following product categories: Aromatic Esters; Azo/Diazo Compounds; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of this chemical is C₁₆H₁₄N₂O₄. What's more, it should be stored at 0-6°C.

The physical properties of Dibenzyl azodicarboxylate are as following: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1164.47; (6)ACD/BCF (pH 7.4): 1164.47; (7)ACD/KOC (pH 5.5): 5449.22; (8)ACD/KOC (pH 7.4): 5449.22; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 77.32 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 81.77 cm³; (15)Molar Volume: 250.1 cm³; (16)Polarizability: 32.41×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 71.68 kJ/mol; (21)Boiling Point: 456.8 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-08 mmHg at 25°C.

Uses of Dibenzyl azodicarboxylate: It can react with 2-vinyl-1,4-benzodioxin to produce 3,9α-dihydro-9,10-dioxa-1,2-diaza-anthracene-1,2-dicarboxylic acid dibenzyl ester. This reaction will need solvent ethanol. The reaction time is 4 hours, and the yield is about 78%.

Dibenzyl azodicarboxylate can react with 2-vinyl-1,4-benzodioxin to produce 3,9α-dihydro-9,10-dioxa-1,2-diaza-anthracene-1,2-dicarboxylic acid dibenzyl ester

You should be cautious while dealing with this chemical. It is a kind of highly flammble chemical which irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2
(2)InChI: InChI=1/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
(3)InChIKey: IRJKSAIGIYODAN-UHFFFAOYAB