4-(4-amino-3-methoxyphenyl)-2-methoxyaniline

• ChemBase ID: 102405
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: COc1c(N)ccc(c1)c1cc(OC)c(N)cc1
• Canonical SMILES: COc1cc(ccc1N)c1ccc(c(c1)OC)N
• InChI: InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
• InChIKey: JRBJSXQPQWSCCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
• IUPAC Traditional name: dianisidine
• Synonyms: FAST BLUE B, BASE; o-Dianisidine; 3,3'-Dimethoxybenzidine; Fast Blue B; o-DIANISIDINE; 4,4'-Diamino-3,3'-dimethoxybiphenyl; 3,3′-Dimethoxybenzidine; o-Dianisidine; 3,3′-Dimethoxybenzidine; 3,3'-二甲氧基联苯胺; 固蓝 B; 邻联茴香胺; 邻-邻联茴香胺; 邻联茴香胺; 3,3'-二甲氧基联苯胺

Database IDs

• CAS Number: 119-90-4
• EC Number: 204-355-4
• MDL Number: MFCD00008372
• Beilstein Number: 1879884
• Merck Index: 142991
• PubChem SID: 24894258; 162088105; 24860220
• PubChem CID: 8411

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6003734
• LogD (pH = 7.4): 1.6466603
• Log P: 1.6472768
• Molar Refractivity: 73.5214 cm^3
• Polarizability: 28.605333 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: aqueous acid: soluble; H2O: slightly soluble
• Melting Point: 134-138°C; 137-138 °C(lit.); 137-138°C
• Flash Point: 206 °C; 206°C(402°F); 402.8 °F; 403 °F
• Vapor Pressure: 8.8 x 10-9 mm Hg at 25 °C(estimated).

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DD0875000
• European Hazard Symbols: Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 45-22; 45-22.1; R:22-45
• Safety Statements: 53.1-45; 53-45; S:45-53
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H350; H350-H302
• GHS Precautionary statements: P201-P308 + P313; P281-P264-P301+P312-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, 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, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: ≥97.0%; ≥97.0% (CHN); 97%; 98+%
• Grade: analytical standard, for environmental analysis
• Quality: for spectrophotometric det. of Au, NO2-, Ce(IV); for the detection of Au, Co, Cu, SCN-, V
• Linear Formula: [-C6H3(OCH3)NH2]2
• Empirical Formula (Hill Notation): C14H16N2O2

DETAILS

MP Biomedicals - 02101536

Free Base
Tan powder may darken on storage to a purple color. Almost insoluble in water, but is acid soluble.

MP Biomedicals - 05211921

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D9143

Caution
Darkens in storage.
包装
5, 25 g in glass bottle
Warning
可能致癌。

Sigma Aldrich - 33430

Other Notes
Redox indicator for titration with NBS1
Warning
Probably carcinogenic.

Sigma Aldrich - 46098

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

REFERENCES

• Redox indicator.