1,5-dinitronaphthalene

• ChemBase ID: 85695
• Molecular Formular: C10H6N2O4
• Molecular Mass: 218.16564
• Monoisotopic Mass: 218.03275668
• SMILES: [N+](=O)(c1c2c(ccc1)c(ccc2)[N+](=O)[O-])[O-]
• Canonical SMILES: [O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-]
• InChI: InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
• InChIKey: ZUTCJXFCHHDFJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dinitronaphthalene
• IUPAC Traditional name: naphthalene, dinitro-; 1,5-dinitronaphthalene
• Synonyms: 1,5-Dinitronaphthalene; 1,5-dinitronaphthalene; 1,5-二硝基萘

Database IDs

• CAS Number: 605-71-0
• EC Number: 210-095-2
• MDL Number: MFCD00003916
• Beilstein Number: 527184
• PubChem SID: 162072811; 24866375
• PubChem CID: 11803

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.842691
• LogD (pH = 7.4): 2.842691
• Log P: 2.842691
• Molar Refractivity: 55.1492 cm^3
• Polarizability: 21.58463 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213-216 °C(lit.); 214-217 °C; 214-218°C; 216°C
• Density: 1.586

Safety Information

• RTECS: QJ4551000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-68-52/53; 41-43-52/53; R:22
• Safety Statements: 26-36/37/39; 26-36/37-61; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H318-H412; H341-H315-H319-H335-H402-H412
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 97%; 97+%
• Linear Formula: C10H6(NO2)2

DETAILS

MP Biomedicals - 05205710

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 42135

Packaging
100 g in poly bottle