2-[2-(1-cyano-1-methylethyl)diazen-1-yl]-2-methylpropanenitrile

• ChemBase ID: 126005
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: CC(C)(C#N)/N=N/C(C)(C)C#N
• Canonical SMILES: N#CC(/N=N/C(C#N)(C)C)(C)C
• InChI: InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
• InChIKey: OZAIFHULBGXAKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-cyano-1-methylethyl)diazen-1-yl]-2-methylpropanenitrile
• IUPAC Traditional name: azobisisobutyronitrile
• Synonyms: Free radical initiator; α,α′-Azoisobutyronitrile; 2,2′-Azobis(2-methylpropionitrile); Azobisisobutyronitrile; Azobisisobutylonitrile; AIBN; Azobisisobutyronitrile; α,α,′-Azoisobutyronitrile solution; AIBN solution; 2,2′-Azobis(2-methylpropionitrile) solution; 2,2'-偶氮双(异丁腈); VAZO™ 催化剂 64 自由基源; 偶氮二异丁腈; 2,2′-Azobis(2-methylpropionitrile); 2,2'-偶氮双(异丁腈) 溶液; AIBN 溶液; 2,2'-偶氮二(2-甲基丙腈) 溶液

Database IDs

• CAS Number: 78-67-1
• EC Number: 201-132-3
• MDL Number: MFCD00013808
• Beilstein Number: 1708400
• PubChem SID: 162220348; 24847282; 24867330
• PubChem CID: 6547
• Chemspider ID: 6299
• Wikipedia Title: Azobisisobutyronitrile

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.270368
• LogD (pH = 7.4): 1.270368
• Log P: 1.270368
• Molar Refractivity: 45.3356 cm^3
• Polarizability: 16.86826 Å^3
• Polar Surface Area: 72.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white crystals
• Melting Point: 102-104 °C (dec.)(lit.); 103 - 105°C
• Flash Point: 39.2 °F; 4 °C
• Density: 0.858 g/mL at 25 °C; 1.1 g cm^-3
• Refractive Index: n20/D 1.495

Safety Information

• RTECS: UG0800000
• European Hazard Symbols: Explosive (E); Flammable (F); Harmful (Xn)
• UN Number: 1294; 3234
• German water hazard class: 2
• Hazard Class: 3; 4.1
• Packing Group: 2
• Risk Statements: 2-11-20/22-52/53; 63-11-38-48/20-65-67; R11, R25, R37/38, R41
• Safety Statements: 16-36/37-62; 39-41-47-61
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H361d-H373; H242-H302 + H332-H412; H242-H302-H332-H412
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P331; P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2; UN 3234 4.1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0%; ≥98.0% (GC); 98%
• Concentration: 0.2 M in toluene
• Grade: purum; SAJ first grade
• Ignition Residue: ≤0.1%
• Impurities: ≤2% water
• Linear Formula: (CH3)2C(CN)N=NC(CH3)2CN
• Empirical Formula (Hill Notation): C8H12N4

DETAILS

Sigma Aldrich - 714887

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 441090

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Free radical initiator1
Packaging
25, 100 g in poly bottle

Sigma Aldrich - 11630

General description
Radical initiator
Other Notes
Sales restrictions may apply

Sigma Aldrich - 01-7220

法律信息
VAZO 商标 E. I. du Pont de Nemours and Company