4-(3,4-diaminophenyl)benzene-1,2-diamine

• ChemBase ID: 125343
• Molecular Formular: C12H14N4
• Molecular Mass: 214.26636
• Monoisotopic Mass: 214.12184647
• SMILES: c1(c2cc(N)c(N)cc2)ccc(N)c(N)c1
• Canonical SMILES: Nc1ccc(cc1N)c1ccc(c(c1)N)N
• InChI: InChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
• InChIKey: HSTOKWSFWGCZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-diaminophenyl)benzene-1,2-diamine
• IUPAC Traditional name: 3,3'-diaminobenzidine
• Synonyms: 3,3'-Diaminobenzidine; 3,3’,4,4’-Tetraaminobiphenyl Tetrahydrochloride; [1,1'-Biphenyl]-3,3',4,4'-tetramine Hydrochloride; 3,3',4,4'-Biphenyltetramine Tetrahydrochloride; 3,3'-Diaminobenzidine Tetrahydrochloride; DAB; 3,3′,4,4′-Biphenyltetramine; 3,3′,4,4′-Tetraaminobiphenyl; 3,3′-Diaminobenzidine; SIGMAFAST™ 3,3′-Diaminobenzidine tablets; 3,3′,4,4′-四氨基联苯; 3,3′,4,4′-联苯四胺; 3,3′-二氨基联苯胺

Database IDs

• CAS Number: 7411-49-6; 91-95-2
• EC Number: 202-110-6
• MDL Number: MFCD00007725
• Beilstein Number: 1212988
• PubChem SID: 24893827; 24893384; 24894175; 162219693; 24893856; 24893872
• PubChem CID: 7071
• Chemspider ID: 6804
• Wikipedia Title: 3,3'-Diaminobenzidine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.23196726
• LogD (pH = 7.4): 0.3037893
• Log P: 0.30476737
• Molar Refractivity: 69.9958 cm^3
• Polarizability: 25.874 Å^3
• Polar Surface Area: 104.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Grey Solid; tablet
• Melting Point: >250°C (dec.); 173-176 °C; 175–177 °C; 280 °C (4HCl.2H₂O); 175-177 °C(lit.)

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• RTECS: DV8750000; DV8750000; DV8753000 (4HCl)
• European Hazard Symbols: Oxidising (O); Toxic (T); Harmful (Xn)
• German water hazard class: 1; 3
• Risk Statements: 22-36/37/38; 45-34-37-68; 45-68; 45-8-34-68
• Safety Statements: 26-36/37; 53-26-36/37/39-45; 53-45; R R20 R21 R22 R40
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  2
• LD50: mouse, oral Acute: 1834 mg/kg.
• GHS Hazard statements: H272-H314-H341-H350; H315-H319-H335-H341-H350; H341-H350
• GHS Precautionary statements: P201-P220-P280-P305 + P351 + P338-P310; P201-P261-P281-P305 + P351 + P338-P308 + P313; P201-P281-P308 + P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C; room temp

Product Information

• Purity: ≥98.0% (CHN); ≥99% (HPLC); 99%
• Grade: purum
• Linear Formula: (NH2)2C6H3C6H3(NH2)2

DETAILS

Sigma Aldrich - D4168

Application
Developed for use in immunohistology and immunoblotting as a precipitating substrate for the localization of peroxidase activity. DAB is the immunohistology substrate of choice as it produces an intense brown-black stain which is resistant to alcohol. Slides stained with DAB may be dehydrated, mounted in resinous media, and stored for future reference. SIGMAFAST™ DAB Tablets require no additional buffers or steps to prepare an active substrate solution. Tablets are individually packaged in foil packets
Reconstitution
Each tablet set dissolved in 1 mL deionized water yields a ready-to-use buffered solution containing DAB and urea hydrogen peroxide.
Legal Information
SIGMAFAST is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - D4418

Application
Developed for use in immunohistology and immunoblotting as a precipitating substrate for the localization of peroxidase activity. DAB is the immunohistology substrate of choice as it produces an intense brown-black stain which is resistant to alcohol. Slides stained with DAB may be dehydrated, mounted in resinous media, and stored for future reference. SIGMAFAST™ DAB Tablets require no additional buffers or steps to prepare an active substrate solution. Tablets are individually packaged in foil packets
Reconstitution
Each tablet set dissolved in 15 mL deionized water yields a ready-to-use buffered solution containing DAB and urea hydrogen peroxide.
Legal Information
SIGMAFAST is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - D4293

Application
Developed for use in immunohistology and immunoblotting as a precipitating substrate for the localization of peroxidase activity. DAB is the immunohistology substrate of choice as it produces an intense brown-black stain which is resistant to alcohol. Slides stained with DAB may be dehydrated, mounted in resinous media, and stored for future reference. SIGMAFAST™ DAB Tablets require no additional buffers or steps to prepare an active substrate solution. Tablets are individually packaged in foil packets
Reconstitution
Each tablet set dissolved in 5 mL deionized water yields a ready-to-use buffered solution containing DAB and urea hydrogen peroxide.
Legal Information
SIGMAFAST is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - D12384

Application
Nucleic acid stain.
Peroxidase substrate; reagent for spectrophotometric determination of selenium.
Packaging
1, 5, 25 g in glass bottle

Sigma Aldrich - D8001

Application
Peroxidase substrate; reagent for spectrophotometric determination of selenium.
Quality
Color: tan to brown.

Sigma Aldrich - 32741

Application
Peroxidase substrate; reagent for spectrophotometric determination of selenium.

Toronto Research Chemicals - D416150

A substrate for peroxidase, and a reagent for the spectrophotometric determination of selenium.