207-08-9
Product Name:
Benzo[k]fluoranthene
Formula:
C20H12
Synonyms:
11,12-Benzofluoranthene;2,3,1′,8′-Binaphthylene;8,9-Benzfluoranthene;Benzo[k]fluoranthene solution
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Benzo[k]fluoranthene appears as pale yellow needles or yellow crystalline solid. (NTP, 1992) |
|---|---|
| Color/Form | Yellow prisms from hexane or acetic acid |
| Boiling Point | 896 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 423 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 9.59e-11 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = 6.11 |
| Henry's Law Constant | Henry's Law constant = 5.84X10-7 atm cu m/mol at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Benzo |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides.[Sigma-Aldrich; Safety Data Sheet for Benzo |
| Collision Cross Section | 154.36 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2722 2761 2708 2734.3 2751.2 442.6 442.8 443.6 442.8 444.2 442.6 443.4 |
| Other Experimental Properties | Can be oxidized to a quinone and methylated at the 8-position. |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H350:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 252.3 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 252.093900383 g/mol |
| Monoisotopic Mass | 252.093900383 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 338 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzo[k]fluoranthene appears as pale yellow needles or yellow crystalline solid. (NTP, 1992)