235563

N,N′-Di-tert-butylcarbodiimide

99%

• Linear Formula: (CH₃)₃CN=C=NC(CH₃)₃
• CAS Number: 691-24-7
• Molecular Weight: 154.25
• Beilstein: 1758049
• EC Number: 211-719-6
• MDL number: MFCD00010231
• UNSPSC Code: 12352001
• PubChem Substance ID: 24854113
• NACRES: NA.22

Properties

• Assay: 99%
• reaction suitability: reaction type: Coupling Reactions
• refractive index: n20/D 1.428 (lit.)
• bp: 48-50 °C/12 mmHg (lit.)
• density: 0.8 g/mL at 25 °C (lit.)
• application(s): peptide synthesis
• SMILES string: CC(C)(C)N=C=NC(C)(C)C
• InChI: 1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
• InChI key: IDVWLLCLTVBSCS-UHFFFAOYSA-N
• Gene Information: human ... EPHX2(2053) ; mouse ... Ephx2(13850)

Description

Application

N,N′-Di-tert-butylcarbodiimide can be used:

• As a reagent for the guanylation of aryl amines catalyzed by lanthanum amides.
• To prepare dichloroimidazolidine-4,5-dione by reacting with oxalyl chloride, which is a key intermediate for the synthesis of N,N′-diamidocarbenes.
• To prepare the iridium complex of benzamidine named Ir(FMeppy)2(N,N′-di-tert-butyl-4-methyl-benzamidine).

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H319,H335
• Precautionary Statements: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 95.0 °F - closed cup
• Flash Point(C): 35 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves