2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline

• ChemBase ID: 102443
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: Cc1c(cccc1)/N=N/c1cc(C)c(N)cc1
• Canonical SMILES: Cc1cc(ccc1N)/N=N/c1ccccc1C
• InChI: InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3
• InChIKey: PFRYFZZSECNQOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline; 2-methyl-4-[(E)-2-(2-methylphenyl)diazen-1-yl]aniline
• IUPAC Traditional name: 2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline; butter yellow
• Synonyms: p-AMINODIPHENYLAMINE, REAGENT GRADE; 4′-Amino-2,3′-dimethylazobenzene; o-Aminoazotoluene; 4'-Amino-2,3'-dimethylazobenzene; o-Aminoazotoluene; Solvent Yellow 3; FAST GARNET GBC BASE; Fast Garnet GBC Base solution; Fast Garnet GBC base; 4′-氨基-2,3′-二甲基偶氮苯; 溶剂黄 3; 邻氨基偶氮甲苯

Database IDs

• CAS Number: 97-56-3; 2298-13-7
• EC Number: 202-591-2
• MDL Number: MFCD00007733
• Beilstein Number: 6506005
• PubChem SID: 24869753; 162090532; 24847463; 24864121
• PubChem CID: 7340
• Color Index Number: 11160

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5757084
• LogD (pH = 7.4): 4.5770392
• Log P: 4.5770564
• Molar Refractivity: 75.1598 cm^3
• Polarizability: 26.250471 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-102 °C(lit.)
• Vapor Pressure: 7.5 x 10-7 mm Hg at 25 °C (extrapolated)
• Absorption Wavelength: λmax 491 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XU8800000
• European Hazard Symbols: Toxic (T)
• UN Number: 1789
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 45-22-35; 45-43; R:43-45
• Safety Statements: 53-26-36/37/39-45; 53-45; S:45-53
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H350; H317-H350
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P310; P201-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1789 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Grade: analytical standard, for environmental analysis; REAGENT
• Clinical: for in vitro diagnostic use
• Shelf Life: (Expiry date on the label.)
• Quality Level: IVD
• Linear Formula: CH3C6H4N=NC6H3(CH3)NH2

DETAILS

MP Biomedicals - 02101690

C.I. 11160

MP Biomedicals - 05202459

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 3872

Components
Fast Garnet GBC base, 7.0 mg/mL, in 0.4 mol/L hydrochloric acid with stabilizer
Application
Intended for use in Sigma Procedure 387 for the demonstration of Acid Phosphatase (TRAP).

Sigma Aldrich - 31629

Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.

Sigma Aldrich - 121568

Packaging
100 g in glass bottle