Diisopropyl azodicarboxylate - ≥95% , CAS No.2446-83-5

CAS: 2446-83-5 Cat. No.: D106304 Molecular Weight: 202.21 Beilstein Registry Number: 1912326 EC Number: 219-502-8

GRADE & PURITY ≥95%

Synonyms

DIAD | EINECS 219-502-8 | AMY37142 | (+/-)-1-HEXYN-3-OL | (E)-N-{[(propan-2-yloxy)carbonyl]imino}(propan-2-yloxy)formamide | UNII-NZ428Y1537 | UNII-7W701BXX4K | AKOS000121275 | SCHEMBL19256 | Azodicarboxylic Acid Diisopropyl Ester | Diisopropyl azodicarbo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reacted with dioxaphosphorinanes and iron catalyst to generate rearranged phosphonium ylide products.

Specifications

Synonyms

DIAD | EINECS 219-502-8 | AMY37142 | (+/-)-1-HEXYN-3-OL | (E)-N-{[(propan-2-yloxy)carbonyl]imino}(propan-2-yloxy)formamide | UNII-NZ428Y1537 | UNII-7W701BXX4K | AKOS000121275 | SCHEMBL19256 | Azodicarboxylic Acid Diisopropyl Ester | Diisopropyl azodicarbo

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)OC(=O)N=NC(=O)OC(C)C
• IUPAC Name: propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate
• InChIKey: VVWRJUBEIPHGQF-MDZDMXLPSA-N
• INCHI: 1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+
• Isomeric SMILES: CC(C)OC(=O)/N=N/C(=O)OC(C)C
• WGK Germany: 2
• UN Number: 3082
• Molecular Weight: 202.21
• Beilstein: 1912326
• Reaxy-Rn: 1912326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Immiscible with water.
• Sensitivity: Light sensitive
• Refractive Index: 1.418-1.422
• Flash Point(°F): 222.8 °F
• Flash Point(°C): 106℃
• Boil Point(°C): 75°C
• Melt Point(°C): 3-5°C
• Molecular Weight: 202.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 202.095 Da
• Monoisotopic Mass: 202.095 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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