50-32-8
Product Name:
Benzo[a]pyrene
Formula:
C20H12
Synonyms:
3,4-Benzopyrene;3,4-Benzpyrene;Benzo[def]chrysene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Benzo[a]pyrene appears as a liquid. Presents a threat to the environment. Immediate steps should be taken to limits its spread to the environment. Easily penetrates the soil and contaminates groundwater or nearby waterways. |
|---|---|
| Color/Form | Pale yellow monoclinic needles from benzene and methanol |
| Odor | Faint aromatic odor |
| Boiling Point | 887 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 349.7 to 351.5 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| Density | greater than 1 (NTP, 1992) |
| Vapor Density | 8.7 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 5.49e-09 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = 6.13 |
| Henry's Law Constant | Henry's Law constant = 4.57X10-7 atm-cu m/mole 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 |
| Heat of Vaporization | Enthalpy of vaporization: 91.0 kJ/mol (323-473 K)[NIST; NIST Chemistry WebBook. Benzo |
| Relative Evaporation Rate | Evaporation at 20 °C is negligible |
| Collision Cross Section | 152.05 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2798 2763 2764 2778 2809 2813 2817 2828 2822 2828 2830 2786.2 2808.6 2829.6 453.4 453.4 453.4 451.8 451.2 453.4 453.9 454.7 455.4 453 453.6 |
| Other Experimental Properties | 1 ppm is equivalent to 10.32 mg/cu m (wt/vol) |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H340:Germ cell mutagenicity 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. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 252.3 g/mol |
|---|---|
| XLogP3 | 6 |
| 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 | 372 |
| 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[a]pyrene appears as a liquid. Presents a threat to the environment. Immediate steps should be taken to limits its spread to the environment. Easily penetrates the soil and contaminates groundwater or nearby waterways.