2,4-dinitronaphthalen-1-ol

• ChemBase ID: 103385
• Molecular Formular: C10H6N2O5
• Molecular Mass: 234.16504
• Monoisotopic Mass: 234.0276713
• SMILES: Oc1c2ccccc2c(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc([N+](=O)[O-])c(c2c1cccc2)O
• InChI: InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
• InChIKey: FFRBMBIXVSCUFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dinitronaphthalen-1-ol
• IUPAC Traditional name: golden yellow
• Synonyms: 2,4-Dinitro-1-naphthol; Martius Yellow; 2,4-Dinitro-1-naphthol; MARTIUS YELLOW; MANCHESTER YELLOW; 2,4-Dinitro-1-Napthol; Acid Yellow 24; C.I. 10315; Golden Yellow; Manchester Yellow; Napthol Yellow; Naphthylene Yellow; Saffron Yellow; MARTIUS YELLOW; 2,4-Dinitronaphthol; Martinsgelb; 2,4-二硝基-1-萘酚; 2,4-二硝基-1-萘酚; 马休黄

Database IDs

• CAS Number: 605-69-6
• EC Number: 210-093-1
• MDL Number: MFCD00065352
• Beilstein Number: 2057462
• PubChem SID: 162090590; 24863520; 24866378
• PubChem CID: 11802
• Wikipedia Title: Martius_yellow
• Color Index Number: 10315

CALCULATED PROPERTIES

• Acid pKa: 4.0908628
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.225862
• LogD (pH = 7.4): 0.6186376
• Log P: 2.5391257
• Molar Refractivity: 57.1301 cm^3
• Polarizability: 22.233208 Å^3
• Polar Surface Area: 106.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-132 °C; 130-132°C (decomposes); 130-133 °C(lit.); 140°C dec.
• Absorption Wavelength: λmax 430 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QL3850000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (HPLC); 95%; Dye Content ~90%
• Grade: technical
• Compostion: Dye content, 85%
• Contains: ~15% water as stabilizer
• Quality: moistened with water
• Linear Formula: (O2N)2C10H5OH
• Empirical Formula (Hill Notation): C10H6N2O5

DETAILS

MP Biomedicals - 05211947

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151588

C.I. 10315
Dye Content: Approx. 90%

Sigma Aldrich - 377767

Packaging
25 g in glass bottle