4-(4-aminophenoxy)aniline

• ChemBase ID: 89380
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: O(c1ccc(cc1)N)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cc1)N
• InChI: InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
• InChIKey: HLBLWEWZXPIGSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminophenoxy)aniline
• IUPAC Traditional name: 4,4-oxydianiline
• Synonyms: 4,4′-Diaminodiphenyl ether; 4,4′-Oxydianiline; 4,4'-DIAMINODIPHENYL ETHER; 4-aminophenyl ether; 4,4'-oxybisbenzenamine; bis(4-aminophenyl) ether; 4,4'-ODA; 4,4'-Diaminodiphenyl ether; 4,4'-Oxydianiline; Bis(4-aminophenyl) ether; 4,4′-二氨基二苯基醚; 4-氨基苯基醚; 4,4′-二氨基二苯醚; 双(4-氨基苯基)醚

Database IDs

• CAS Number: 101-80-4
• EC Number: 202-977-0
• MDL Number: MFCD00007863
• Beilstein Number: 475735
• PubChem SID: 24854926; 24873898; 24869820; 162076260
• PubChem CID: 7579
• CHEMBL: 354663
• Chemspider ID: 7298
• KEGG ID: C14759
• Wikipedia Title: 4,4'-Oxydianiline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7590333
• LogD (pH = 7.4): 1.814933
• Log P: 1.8156811
• Molar Refractivity: 61.6996 cm^3
• Polarizability: 22.94458 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colorless crystalline solid
• Melting Point: 188-192 °C; 188-192 °C (461.15-465.15 K); 188-192 °C(lit.); 188-192°C; 189-192°C; 190-192 °C
• Boiling Point: 190°C/0.1mm; 219 °C (492.15 K)
• Flash Point: 218°C(424°F); 219 °C; 219 °C (492.15 K); 426.2 °F
• Vapor Pressure: 10 mmHg ( 240 °C)

Safety Information

• Storage Warning: Harmful
• RTECS: BY7900000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 45-46-23/24/25-51/53-62; 45-46-23/24/25-62-51/53; R:22-43-45
• Safety Statements: 53-45-61; S:28-29-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  2
• GHS Hazard statements: H301-H311-H331-H340-H350-H361-H411
• GHS Precautionary statements: P201-P261-P273-P280-P301 + P310-P311; P261-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: 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
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (NT); ≥99%; ≥99.0% (GC); 97%; 98%; 99%
• Grade: analytical standard, for environmental analysis; puriss.; purum; zone-refined
• Purified By: sublimation
• Quality: zone refined
• Linear Formula: O(C6H4NH2)2

DETAILS

MP Biomedicals - 05210726

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 248398

Packaging
1 g in glass bottle

Sigma Aldrich - 247278

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 516805

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 46117

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