1-N,1-N-dimethylbenzene-1,4-diamine

• ChemBase ID: 47760
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(N(C)C)ccc(N)cc1
• Canonical SMILES: CN(c1ccc(cc1)N)C
• InChI: InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
• InChIKey: BZORFPDSXLZWJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,4-diamine
• IUPAC Traditional name: dimethyl-p-phenylenediamine
• Synonyms: N-1-,N-1-Dimethyl-1,4-benzenediamine; p-Aminodimethylaniline; N,N-Dimethyl-p-phenylenediamine; 4-(Dimethylamino)aniline; p-Amino-N,N-dimethylaniline; p-(Dimethylamino)aniline; DMPPDA; Dimethyl-p-phenylenediamine; 4-Amino-N,N-dimethylaniline; p-Dimethylaminophenylamine; Dimethyl-4-phenylenediamine; N,N-Dimethyl-1,4-phenylenediamine; N,N-Dimethyl-p-phenylenediamine; N1,N1-Dimethylbenzene-1,4-diamine; 4-Dimethylaminoaniline; N1,N1-Dimethylphenylene-1,4-diamine; Wurster's Red; N1,N1-Dimethylbenzene-1,4-diamine; 4-Amino-N,N-dimethylaniline; 4-(Dimethylamino)aniline 96%; 4-氨基-N,N-二甲基苯胺; N,N-二甲基-1,4-苯二胺; N,N-二甲基对苯二胺; N,N-二甲基-对苯二胺; N,N-二甲基对苯二胺

Database IDs

• CAS Number: 99-98-9
• EC Number: 202-807-5
• MDL Number: MFCD00007860
• Beilstein Number: 508105
• Merck Index: 143254
• PubChem SID: 24851626; 162052523
• PubChem CID: 7472
• Chemspider ID: 13884246
• Wikipedia Title: Dimethyl-4-phenylenediamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.047667995
• LogD (pH = 7.4): 1.1568817
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.303928 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Reddish-violet crystals
• Melting Point: 34-36 °C(lit.); 34-38°C; 34-38°C; 53°C
• Boiling Point: 262 °C(lit.); 262°C; 262°C
• Flash Point: 130°C; 130°C(266°F); 195.8 °F; 91 °C
• Density: 1.09

Safety Information

• Storage Warning: IRRITANT; Light Sensitive; Toxic/Mutagenic/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• RTECS: ST0874000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25
• Safety Statements: 28-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331; H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P261-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0%; ≥97.0% (GC); 96%; 97%
• Quality: for spectrophotometric det. of SO42-, S2-
• Linear Formula: (CH3)2NC6H4NH2

DETAILS

Apollo Scientific Ltd - OR5307

Redox indicator.

Sigma Aldrich - 193992

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 07750

Other Notes
Reagent for the spectrophotometric det. of SO42- and S2-,1,2

REFERENCES

• Redox indicator. Readily forms stable, red radical cation, involved in a variety of redox reactions. Compare N,N,N',N'-Tetramethyl-p-phenylenediamine, L00559.