9,10-dibromoanthracene

• ChemBase ID: 87153
• Molecular Formular: C14H8Br2
• Molecular Mass: 336.02132
• Monoisotopic Mass: 333.89927426
• SMILES: Brc1c2c(c(c3ccccc13)Br)cccc2
• Canonical SMILES: Brc1c2ccccc2c(c2c1cccc2)Br
• InChI: InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
• InChIKey: BRUOAURMAFDGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dibromoanthracene
• IUPAC Traditional name: 9,10-dibromoanthracene
• Synonyms: 9,10-dibromoanthracene; NSC 6263; 9,10-Dibromoanthracene; 9,10-二溴蒽

Database IDs

• CAS Number: 523-27-3
• EC Number: 208-342-4
• MDL Number: MFCD00001244
• Beilstein Number: 1912109
• Merck Index: 143018
• PubChem SID: 162074269; 24893791
• PubChem CID: 68226

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4897046
• LogD (pH = 7.4): 5.4897046
• Log P: 5.4897046
• Molar Refractivity: 74.204 cm^3
• Polarizability: 30.69535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Bright Yellow Solid
• Melting Point: 222-223°C subl.; 223°C; 223-224 °C(lit.); 223-225°C

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 50/53; R:36/37/38
• Safety Statements: 26-37; 60-61; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H410
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273-P501
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C14H8Br2

DETAILS

MP Biomedicals - 05207694

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D38855

Packaging
10, 50 g in poly bottle

Toronto Research Chemicals - D422990

9,10-Dibromoanthracene is a dibrominated polycyclic aromatic hydrocarbon (PAH). 9,10-Dibromoanthracene is often used as an energy acceptor and activator in reactions that produce chemiluminescence.

REFERENCES

• Blakey, I. et al.: Macromolecules, 34, 9130 (2001)
• Faven, C. et al.: Anal. Sci., 9, 371 (2001)