9-nitroanthracene

• ChemBase ID: 110286
• Molecular Formular: C14H9NO2
• Molecular Mass: 223.22676
• Monoisotopic Mass: 223.06332853
• SMILES: [O-][N+](=O)c1c2ccccc2cc2c1cccc2
• Canonical SMILES: [O-][N+](=O)c1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
• InChIKey: LSIKFJXEYJIZNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-nitroanthracene
• IUPAC Traditional name: anthracene, 9-nitro-
• Synonyms: 9-NITROANTHRACENE; 9-Nitroanthracene; 9-硝基蒽

Database IDs

• CAS Number: 602-60-8
• EC Number: 210-021-9
• MDL Number: MFCD00001248
• Beilstein Number: 1877509
• PubChem SID: 162096431; 24892219; 24897455; 24886445
• PubChem CID: 11767

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8921835
• LogD (pH = 7.4): 3.8921835
• Log P: 3.8921835
• Molar Refractivity: 65.2789 cm^3
• Polarizability: 27.311954 Å^3
• Polar Surface Area: 43.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-143°C; 141-144 °C; 141-144 °C(lit.)
• Boiling Point: 275°C/17mm

Safety Information

• RTECS: CB0715000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (HPLC); 93%; 95+%; 98%; tech. 85%
• Grade: BCR® certified Reference Material; technical
• Empirical Formula (Hill Notation): C14H9NO2

DETAILS

MP Biomedicals - 05214441

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N10209

Packaging
1, 5 g in glass bottle

Sigma Aldrich - BCR308

Legal Information
BCR is a registered trademark of European Commission