2,4-diaminophenol dihydrochloride

• ChemBase ID: 108206
• Molecular Formular: C6H10Cl2N2O
• Molecular Mass: 197.0624
• Monoisotopic Mass: 196.01701831
• SMILES: Cl.Cl.Nc1ccc(O)c(N)c1
• Canonical SMILES: Nc1ccc(c(c1)N)O.Cl.Cl
• InChI: InChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H
• InChIKey: KQEIJFWAXDQUPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diaminophenol dihydrochloride
• IUPAC Traditional name: amidol dihydrochloride
• Synonyms: Amidol; 4-Hydroxy-m-phenylenediamine dihydrochloride; `Amidol'; ‘Amidol’; 2,4-Diaminophenol dihydrochloride; AMIDOL; 2,4-diaminophenol dihydrochloride; 2,4-二氨基苯酚 二盐酸盐

Database IDs

• CAS Number: 137-09-7
• EC Number: 205-279-4
• MDL Number: MFCD00012979
• Beilstein Number: 3913728
• Merck Index: 142983
• PubChem SID: 162093915; 24853774
• PubChem CID: 8715

CALCULATED PROPERTIES

• Acid pKa: 11.202227
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.6046207
• LogD (pH = 7.4): -0.005416478
• Log P: 0.011828586
• Molar Refractivity: 37.4397 cm^3
• Polarizability: 13.214596 Å^3
• Polar Surface Area: 72.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C; 222 °C (dec.)(lit.); ca 280°C dec.
• Hydrophobicity(logP): -0.609

Safety Information

• RTECS: SK7600000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22-36/37/38; 22-36/37/38-42/43-68; R:22-34
• Safety Statements: 22-26-36/37-45; 26-36; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H334-H315-H319-H317-H341-H302-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P285-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (T); 95%; 98%; 98+%
• Grade: purum
• Salt Data: 2HCl
• Linear Formula: (H2N)2C6H3OH·2HCl

DETAILS

MP Biomedicals - 05206467

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 230103

Packaging
25, 100 g in glass bottle