Di-tert-butyl 2-isocyanosuccinate

Base Information

• Chemical Name: Di-tert-butyl 2-isocyanosuccinate
• CAS No.: 1027757-05-6
• Molecular Formula: C13H21NO4
• Molecular Weight: 255.31
• European Community (EC) Number: 693-452-9
• DSSTox Substance ID: DTXSID20391225
• Mol file: 1027757-05-6.mol

Synonyms:Di-tert-butyl 2-isocyanosuccinate;1027757-05-6;Ditert-butyl 2-isocyanobutanedioate;DL-Aspartic acid di-tert-butyl ester isocyanide;SCHEMBL377216;DTXSID20391225;AKOS025293984;Di-tert-butyl 2-isocyanosuccinate, >=97.0% (GC);J-000784

Chemical Property of Di-tert-butyl 2-isocyanosuccinate

Chemical Property:

• Melting Point: 54-59 °C
• PSA: 52.60000
• LogP: 1.57850
• Storage Temp.: −20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 255.14705815
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

Di-tert-butyl 2-isocyanosuccinate ≥97.0% (GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)[N+]#[C-]