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

• ChemBase ID: 130818
• Molecular Formular: C12H20Cl4N4O
• Molecular Mass: 378.1254
• Monoisotopic Mass: 376.039122
• SMILES: c1cc(c(cc1c1ccc(c(c1)N)N)N)N.O.Cl.Cl.Cl.Cl
• Canonical SMILES: Nc1ccc(cc1N)c1ccc(c(c1)N)N.O.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C12H14N4.4ClH.H2O/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;;/h1-6H,13-16H2;4*1H;1H2
• InChIKey: DXWSCXIZIHILNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-diaminophenyl)benzene-1,2-diamine hydrate tetrahydrochloride
• IUPAC Traditional name: 3,3'-diaminobenzidine hydrate tetrahydrochloride
• Synonyms: 3,3′-Diaminobenzidine tetrahydrochloride hydrate; 3,3-二氨基联苯胺 四盐酸盐 水合物

Database IDs

• CAS Number: 868272-85-9
• EC Number: 231-018-9
• MDL Number: MFCD08273058
• PubChem SID: 24855842; 162225096; 24893950; 24859667; 24894241
• PubChem CID: 16211746

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

Safety Information

• RTECS: DV8753000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-68
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H341-H350
• GHS Precautionary statements: P201-P281-P308 + P313
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥96%; ≥96.0% (AT); ≥98.0%; 97%
• Quality: for spectrophotometric det. of Se
• Empirical Formula (Hill Notation): C12H14N4 · 4HCl · xH2O

DETAILS

Sigma Aldrich - D5637

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
1, 5, 10, 25, 50 g in glass bottle

Sigma Aldrich - 261890

Packaging
5 g in glass bottle

Sigma Aldrich - 32750

Other Notes
Reagent for the spectrophotometric determination of selenium1; Peroxidase stain. Differentiation between two classes of mycobacterial catalase in polyacrylamide electrophoresis gels2; Specific indication of hemoproteins in polyacrylamide gels by double staining3
Packaging
1, 5, 25 g in glass bottle

Sigma Aldrich - D9015

Caution
Injecting a compatible solvent permits preparation of any desired strength solution without exposure.
包装
100 mg in serum bottle
Weight approximate. Packaged in a 100 mL serum bottle with butyl rubber stopper and aluminum tear seal.
Reconstitution
Dissolving the contents in 100 mL of solvent yields a 0.1% solution.
法律信息
Isopac is a registered trademark of Sigma-Aldrich Co. LLC