1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine dihydrochloride

• ChemBase ID: 10319
• Molecular Formular: C10H18Cl2N2
• Molecular Mass: 237.16932
• Monoisotopic Mass: 236.08470395
• SMILES: c1c(ccc(c1)N(C)C)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1ccc(cc1)N(C)C)C.Cl.Cl
• InChI: InChI=1S/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H
• InChIKey: FBHKTSXMTASXFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine dihydrochloride
• IUPAC Traditional name: 1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine dihydrochloride; wurster's blue dihydrochloride
• Synonyms: TMPPD; N,N,N′,N′-Tetramethyl-p-phenylenediamine dihydrochloride; Wurster’s reagent; 1,4-Bis(dimethylamino)benzene dihydrochloride; Wurster's Blue dihydrochloride; N,N,N',N'-Tetramethyl-p-phenylenediamine dihydrochloride; N,N,N',N'-Tetramethyl-p-phenylenediamine dihydrochloride; N,N,N',N'-Tetramethyl-14-Benzenediamine Dihydrochloride; Wurster 试剂; N,N,N′,N′-四甲基对苯二胺 二盐酸盐; N,N,N',N'-四甲基对苯二胺二盐酸盐

Database IDs

• CAS Number: 637-01-4
• EC Number: 211-274-8
• MDL Number: MFCD00012482
• Beilstein Number: 5132096; 7442241
• PubChem SID: 24888749; 160973626; 24900109
• PubChem CID: 71561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.78618145
• LogD (pH = 7.4): 2.0721147
• Log P: 2.1893334
• Molar Refractivity: 54.9152 cm^3
• Polarizability: 19.994892 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: off-white to gray to brown powder
• Melting Point: 222-224 °C(lit.); 228°C(dec); 234°C; ca 228°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT, IRRITANT-HARMFUL, MOISTURE SENSITIVE; Light Sensitive
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 20/21/22-36/37/38; 36/37/38; R:36/37/38
• Safety Statements: 26-36; 9-26-36/37; S:20-25-26-37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95%; ≥97.0% (AT); 96%; 98%; 98+%
• Linear Formula: C6H4[N(CH3)2]2·2HCl

DETAILS

MP Biomedicals - 02195517

Dihydrochloride
Purity: 96%
Off-white to gray powder, which may darken during storage.
Used as a reagent in microbiology to classify cytochromoxidase-positive aerobic microorganisms.

MP Biomedicals - 05218979

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T3134

Caution
May darken in storage.
包装
5, 25 g in glass bottle

Sigma Aldrich - 87890

Application
Test reagent in microbiology for the classification of cytochrome oxidase positive aerobic microorganisms.; For oxidase reagent, use a 1% aqueous solution of N,N,N′,N′-Tetramethyl-p-phenylenediamine dihydrochloride
Packaging
5, 25 g in glass bottle

REFERENCES

• See previous entry.