8.20528

Diphenylamine

for synthesis

• Synonym(s): Diphenylamine, N-Phenylaniline
• Linear Formula: (C₆H₅)₂NH
• CAS Number: 122-39-4
• Molecular Weight: 169.22
• UNSPSC Code: 12352116
• EC Index Number: 204-539-4
• NACRES: NA.22
• MDL number: MFCD00003014
• Assay: ≥99.0% (GC)
• Form: solid

Properties

• SMILES string: N(c2ccccc2)c1ccccc1
• InChI: 1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
• InChI key: DMBHHRLKUKUOEG-UHFFFAOYSA-N
• vapor pressure: 0.0003 hPa ( 20 °C)
• assay: ≥99.0% (GC)
• form: solid
• autoignition temp.: 630 °C (DIN 51794)
• potency: 1120 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• bp: 302 °C/1013 hPa
• mp: 53-54 °C
• transition temp: flash point 153 °C (DIN 51758)
• solubility: 0.05 g/L
• density: 1.16 g/cm³ at 20 °C
• bulk density: 610 kg/m³
• storage temp.: no temp limit
• Quality Level: 200

Description

Application

• Design of hole transport materials: New small derivatives of 2,2′-bithiophene, possibly involving Diphenylamine as a building block, were rationally designed to improve the performance of perovskite solar cells, demonstrating Diphenylamine′s role in advancing photovoltaic technology (Adadi et al., 2024).
• High-efficiency hyperfluorescent OLEDs: Diphenylamine may be implicated in the development of hybridized local and charge transfer dendrimers, aimed at achieving near-unity exciton utilization in solution-processed OLEDs, highlighting its potential in high-performance electronic displays (Yin et al., 2024).
• Chemical detection technologies: A benzoxazole-triphenylamine conjugated fluorogenic probe was developed for the specific detection of sarin gas mimic diethylchlorophosphate, illustrating Diphenylamine′s utility in sensitive and specific chemical sensors (Sultana et al., 2024).
• Electrochemiluminescence emitters: Diphenylamine-based emitters were tailored for efficient electrochemiluminescence, employing tripropylamine as a co-reactant, contributing to the field of electrochemical sensors and displays (Morgan et al., 2023).
• Near-infrared fluorophores development: Research on chlorinated rylenecarboximide fluorophores, potentially involving Diphenylamine, focused on efficient near-infrared applications, which are critical for advanced imaging and diagnostic techniques (Wu et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 52 °C
Melting range (upper value): ≤ 55 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H301 + H311 + H331,H373,H410
• pcodes: P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P314
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2
• target_organs: Kidney,Liver,spleen
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3