9-bromoanthracene

• ChemBase ID: 92148
• Molecular Formular: C14H9Br
• Molecular Mass: 257.12526
• Monoisotopic Mass: 255.98876229
• SMILES: Brc1c2c(cc3c1cccc3)cccc2
• Canonical SMILES: Brc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
• InChIKey: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromoanthracene
• IUPAC Traditional name: 9-bromoanthracene
• Synonyms: 9-Bromoanthracene; 9-Bromoanthracene 98%; 9-BROMOANTHRACENE; 9-溴蒽

Database IDs

• CAS Number: 1564-64-3
• EC Number: 216-359-3
• MDL Number: MFCD00001243
• Beilstein Number: 1869747
• PubChem SID: 24850001; 24891852; 162078846
• PubChem CID: 74062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.720952
• LogD (pH = 7.4): 4.720952
• Log P: 4.720952
• Molar Refractivity: 66.5812 cm^3
• Polarizability: 28.00184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-100 °C; 97-100 °C(lit.); 97-100°C; 97-103°C

Safety Information

• Storage Warning: Irritant/Light Sensitive
• German water hazard class: 3
• Safety Statements: 22-24/25
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (HPLC); 94%; 96%; 98%
• Grade: technical
• Impurities: 2-5% anthracene
• Empirical Formula (Hill Notation): C14H9Br

DETAILS

MP Biomedicals - 05214338

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B56609

Packaging
5, 25 g in glass bottle