di-tert-butyldiazene

• ChemBase ID: 151168
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: CC(C)(C)/N=N/C(C)(C)C
• Canonical SMILES: CC(/N=N/C(C)(C)C)(C)C
• InChI: InChI=1S/C8H18N2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
• InChIKey: GKCPCPKXFGQXGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyldiazene
• IUPAC Traditional name: di-tert-butyldiazene
• Synonyms: Azo-tert-butane; Di-tert-butyldiazene; 2,2′-Azobis(2-methylpropane); 二叔丁基二氮烯; 偶氮-叔丁烷; 2,2′-偶氮二(2-甲基丙烷)

Database IDs

• CAS Number: 927-83-3
• MDL Number: MFCD00014998
• Beilstein Number: 1749274
• PubChem SID: 24868677; 162245325
• PubChem CID: 70227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3033626
• LogD (pH = 7.4): 2.3033626
• Log P: 2.3033626
• Molar Refractivity: 44.4046 cm^3
• Polarizability: 17.16434 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 47-48 °C/8 mmHg(lit.)
• Flash Point: 44.6 °F; 7 °C
• Density: 0.756 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.397(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/22-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H315-H319-H332-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Impurities: <3% n-pentane
• Linear Formula: (CH3)3CN=NC(CH3)3

DETAILS

Sigma Aldrich - 452106

Packaging
5 g in glass bottle